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1 hit(s) found in 0.07 seconds
Search term: RZVAJINKPMORJF-UHFFFAOYAA
Found by InChIKey (full match)
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ChemSpider ID: |
1906
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Empirical Formula: |
C8H9NO2
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Molecular Weight: |
151.1626
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Nominal Mass: |
151
Da
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Average Mass: |
151.1626
Da
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Monoisotopic Mass: |
151.063329
Da
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Systematic Name: |
N-(4-hydroxyphenyl)acetamide
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SMILES: |
O=C(Nc1ccc(O)cc1)C
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InChI: |
InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
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InChIKey: |
RZVAJINKPMORJF-UHFFFAOYAA
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Std. InChI: |
InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
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Std. InChIKey: |
RZVAJINKPMORJF-UHFFFAOYSA-N
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Paracetamol ( INN) () or acetaminophen () ( USAN) is a widely used over-the-counter analgesic (pain reliever) and antipyretic (fever reducer). Its effectiveness alone as an antipyretic is however questioned. It is commonly used for the relief of headaches, and other minor aches and pains, and is a major ingredient in numerous cold and flu remedies. In combination with non-steroidal anti-inflammatory drugs (NSAIDs) and opioid analgesics, paracetamol is used also in the management of more severe pain (such as postoperative pain).
While generally safe for human use at recommended doses (1000 mg per single dose and up to 4000 mg per day for adults, up to 2000 mg per day if drinking alcohol), acute overdoses of paracetamol can cause potentially fatal liver damage and, in rare individuals, a normal dose can do the same; the risk is heightened by alcohol consumption. Paracetamol toxicity is the foremost cause of acute liver failure in the Western world, and accounts for most drug overdoses in the United States, the United Kingdom, Australia and New Zealand. The words acetaminophen (used in the United States, Canada, Hong Kong, Iran, Colombia and other Latin American countries) and paracetamol (used elsewhere) both come from chemical names for the compound: para- acetyl aminophenol and para- acetyl aminophen ol. In some contexts, it is simply abbreviated as APAP, for N- acetyl- para- amino phenol. There is confusion in terminology of Paracetamol (known as Acetaminophen in North America). It should be included in NSAIDS but Paracetamol has very little anti-inflammatory effect in many tissues. However aspirin, paracetamol and other NSAIDs all act by the same mechanism (inhibition of PG synthesis) and all show varying levels of analgesic, anti-inflammatory, antipyretic and antiplatelet actions.
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Links & References
Johanna Linnankoski, Johanna M Mäkelä, Veli-Pekka Ranta, Arto Urtti, and Marjo Yliperttula.
Computational Prediction of Oral Drug Absorption Based on Absorption Rate Constants in Humans, J. Med. Chem., 2006, 49(12), 3674-3681
23 compounds and their Experimental FA values are given in the paper. These have been provided here.
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Tapan Sanghvi, Nina Ni, Michael Mayersohn, Samuel H. Yalkowsky.
Predicting Passive Intestinal Absorption Using A Single Parameter, QSAR Comb. Sci. 2003, 22(2), 247-257
131 compounds and their 'Fraction Absorbed' values have been obtained from the table given in the paper. Some compounds had multiple values reported (as obtained from various references). These have been averaged and provided by us in the SDF and AMP files. The "Sanghvi_values.txt" file contains all data (as reported in Table 1) and "Sanghvi_avg_values.txt" contains averaged data for compounds with multiple entries (as reported in Table 2).
"Benserazide, HCl" was retrieved as "Benserazide", "Ceftriaxone, Na" as "Ceftriaxone", "Foscarnet, Na" as "Foscarnet", "L-Dopa" as "Levodopa", "L-Leucine" as "Leucine" and "Triacrilast" as "Tiacrilast". The last compound was found to be mispelt as checked from the original reference.
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Matthew D. Wessel, Peter C. Jurs, John W. Tolan, and Steven M. Muskal.
Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure, J. Chem. Inf. Comput. Sci., 1998, 38(4), 726-735
A total of 86 drugs and their %HIA (Human Intestinal Absorption) values taken from the table given in the paper.
Compound "trovoflaxicin" was retrieved as "trovafloxacin", "acetylsalicylic acid" as "aspirin", and "phenoxymethylpenicillinic acid" as "penicillinv" from ChemIDplus. Fragment removed from "timolol maleate" during "wash". AMP file has a "Label" column indicating 9 compounds used as a "Cross-Validation Set" and 10 compounds used as an "External Prediction Set" by the authors. Rest of the compounds are labeled as "Training Set".
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Oprea, T. I. and Gottfries, J..
Toward Minimalistic Modeling of Oral Drug Absorption, J. Mol. Graphics Modell. 1999, 17 (5-6), 261-274
"The data set consists of 85 compounds, for which Wessel and co-workers gathered %HIA values from the literature. Sixteen of these 85 structures have Caco-2 cell permeability data, originating from Artursson and Karlsson that were used in the QSAR models proposed by Van de Waterbeemd et. al. and by Norinder et. al. In addition, Yazdanian et. al. reported Caco-2 cell permeability data for 29 of these 85 structures. Thus, three experimental measures were used to derive our QSAR model".
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Kenneth E. Thummel and Danny D. Shen.
Percentage Binding in Plasma, "Goodman & Gilman's The Pharmacological Basis of Therapeutics", 10/e, Ed. by Joel G. Hardman, Lee E. Limbird and Alfred Goodman Gilman, McGraw-Hill, pp. 1917-2023
'Bound in Plasma' (%) values have been taken from the Table A-II-1 given in Appendix II of the above mentioned reference. Users are requested to go through the comments associated with these values, which have been given as footnotes in the table. Only drugs that had 'Bound in Plasma' values indicated for them have been provided in the files here.
Structures (and values) for Clavulanate (22), Heparin (Extensive), Lithium (0), Mycophenolate (MPA: 97.5), Prednisolone (90-95 (<200 ng/ml), ~70(>1 microgm/ml)) and Rapacuronium (50-88) have not been provided here.
In all, 280 drugs and their 'Bound in Plasma' values (%) are given in the files here.
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Kenneth E. Thummel and Danny D. Shen.
Peak Time, "Goodman & Gilman's The Pharmacological Basis of Therapeutics", 10/e, Ed. by Joel G. Hardman, Lee E. Limbird and Alfred Goodman Gilman, McGraw-Hill, pp. 1917-2023
'Peak-Time' values have been taken from the Table A-II-1 given in Appendix II of the above mentioned reference. These are in hours unless otherwise indicated. Users are requested to go through the comments associated with these values, which have been given as footnotes in the table. Only drugs that had 'Peak-Time' values indicated for them have been provided in the files here.
Structures (and values) for Clavulanate (1.3), Enoxaparin (3), Epoetin Alfa (SC: 18, IP:12), Etanercept (SC-SD:72(48-96)), Filgrastim (4-5.8), Heparin (3), Interferon Alfa (IM:3.8,SC:7.3), Interferon Beta (SC:1-8), Lithium (IR:0.5-3, SR:2-6), Mycophenolate (MPA: 1.1-2.2), Prednisolone (1.5+-0.5), Sargramostim (A,SC: 1-3, C,SC:1.5-4) and Streptokinase (0.9+-0.21) have not been provided here.
In all, 270 drugs and their 'Peak-Time' values are given in the files here.
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Kenneth E. Thummel and Danny D. Shen.
Urinary Excretion, "Goodman & Gilman's The Pharmacological Basis of Therapeutics", 10/e, Ed. by Joel G. Hardman, Lee E. Limbird and Alfred Goodman Gilman, McGraw-Hill, pp. 1917-2023
Urinary Excretion (%) values have been taken from the Table A-II-1 given in Appendix II of the above mentioned reference. Users are requested to go through the comments associated with these values, which have been given as footnotes in the table. Only drugs that had Urinary Excretion values indicated for them have been provided in the files here.
Structures (and values) for Alteplase (t-PA) (Low), Clavulanate (43+-14), Enoxaparin (43), Epoetin alfa (<3), Etanercept (Negligible), Heparin (Negligible), Lithium (95+-15), Mycophenolate (MPA: <1), Prednisolone (26+-9), Rapacuronium (6-22) and Streptokinase (0) have not been provided here.
In all, 297 drugs and their Urinary Excretion values (%) are given in the files here.
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Kenneth E. Thummel and Danny D. Shen.
Volume of Distribution, "Goodman & Gilman's The Pharmacological Basis of Therapeutics", 10/e, Ed. by Joel G. Hardman, Lee E. Limbird and Alfred Goodman Gilman, McGraw-Hill, pp. 1917-2023
'Volume of Distribution' values have been taken from the Table A-II-1 given in Appendix II of the above mentioned reference. These are in liters/kg units unless otherwise indicated. Users are requested to go through the comments associated with these values, which have been given as footnotes in the table. Only drugs that had 'Volume of Distribution' values indicated for them have been provided in the files here.
Structures (and values) for Alteplase (t-PA) (0.10+-0.01), Clavulanate (0.21+-0.05), Enoxaparin (0.12+-0.04), Epoetin Alfa (0.033+-0.013 (0.033-0.075)), Etanercept (0.11), Filgrastim (0.15), Heparin (0.058+-0.11) +- 0.1), Infliximab (0.043). Interferon Alfa (0.40+-0.19), Interferon Beta (2.9+-1.8), Lithium (0.66+-0.16), Mycophenolate (MPA: 3.6+-4), Prednisolone (0.42+-0.11), Rapacuronium (0.2-0.5), Sargramostim (A: -, C:2(0.4-18) liters/(m.m)) and Streptokinase (0.08+-0.04) have not been provided here.
In all, 284 drugs and their 'Volume of Distribution' values are given in the files here.
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Kenneth E. Thummel and Danny D. Shen.
Peak Concentration, "Goodman & Gilman's The Pharmacological Basis of Therapeutics", 10/e, Ed. by Joel G. Hardman, Lee E. Limbird and Alfred Goodman Gilman, McGraw-Hill, pp. 1917-2023
'Peak-Concentrations' values have been taken from the Table A-II-1 given in Appendix II of the above mentioned reference. The units are indicated along with the values. Users are requested to go through the comments associated with these values, which have been given as footnotes in the table.
Structures (and values) for Alteplase (t-PA) (973+-133 ng/ml), Clavulanate (2.8 micro g/ml), Enoxaparin (ACLM: 145+-45 ng/ml, BCLM: 414+-87 ng/ml), Epoetin Alfa (SC: 176+-75 U/l, IP: 375+-123 U/l), Etanercept (IV:2.32 micro-g/ml, SC-SD:1.2 micro-g/ml, SC-MD 3 micro-g/ml), Filgrastim (SC: 4 and 49 ng/ml), Heparin (70+-39 ng/ml), Infliximab (118 micro-g/ml), Interferon Alfa (IV: ~13 ng/ml, IM: 2.0 (1.5-2.6) ng/ml, SC: 1.7 (1.2-2.3) ng/ml), Interferon Beta (IV: 1491+-659 IU/ml, SC: 40+-20 IU/ml), Lithium (IR: 1-2 mM, SR: 0.7-1.2 mM), Mycophenolate (MPA: 8-19 micro-g/ml), Prednisolone (458+-150 ng/ml), Rapacuronium (6-20 micro-g/ml), Sargramostim (A, IV: 5ng/ml, A, SC: 1.5 ng/ml, C, IV: 100 ng/ml, C, SC: 10 ng/ml) and Streptokinase (188+-58 IU/ml) have not been provided here.
In all, 304 drugs and their 'Peak-Concentration' values are given in the files here.
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Kenneth E. Thummel and Danny D. Shen.
Clearance , "Goodman & Gilman's The Pharmacological Basis of Therapeutics", 10/e, Ed. by Joel G. Hardman, Lee E. Limbird and Alfred Goodman Gilman, McGraw-Hill, pp. 1917-2023
'Clearance' values have been taken from the Table A-II-1 given in Appendix II of the above mentioned reference. These are in (ml/min/kg) units unless otherwise indicated. Users are requested to go through the comments associated with these values, which have been given as footnotes in the table. Only drugs that had 'Clearance' values indicated for them have been provided in the files here.
Structures (and values) for Alteplase (t-PA) (10+-4), Clavulanate (3.6+-1.0), Enoxaparin (0.3+-0.1), Epoetin Alfa (0.047+-0.017 (0.047-0.092)), Etanercept (0.02), Filgrastim (0.5-0.7), Heparin (1/(0.65 + 0/0.008D) +- 0.1), Interferon Alfa (2.8+-0.6), Interferon Beta (13+-5), Lithium (0.35+-0.11), Mycophenolate (MM: 120-163, MPA: 2.5+-0.4), Prednisolone (1.0+-0.16), Rapacuronium (7-11), Sargramostim (A: 420 ml/min/(m.m), C:49(15-118) ml/min/(m.m)) and Streptokinase (1.7+-0.7) have not been provided here.
In all, 301 drugs and their 'Clearance' values are given in the files here.
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Kenneth E. Thummel and Danny D. Shen.
Percentage Oral Availability, "Goodman & Gilman's The Pharmacological Basis of Therapeutics", 10/e, Ed. by Joel G. Hardman, Lee E. Limbird and Alfred Goodman Gilman, McGraw-Hill, pp. 1917-2023
Availability (Oral) % have been taken from the Table A-II-1 given in Appendix II of the above mentioned reference. Users are requested to go through the comments associated with these values, which have been given as footnotes in the table. Only drugs that had Availability values indicated for them have been provided in the files here.
Structures (and values) for Clavulanate (75+-21), Enoxaparin (SC: 92), Epoetin alfa (SC: 22 (11-36), IP: 3 (1-7)), Etanercept (SC: 58), Filgrastim (SC: 49+-9), Interferon alfa (IM: 80-83, SC: 90), Interferon beta (SC: 51+-17), Lithium (100), Mycophenolate (MM: ~0, MPA: 94) and Prednisolone (82+-13) have not been provided here.
In all, 242 drugs and their Availability (Oral) % are given in the files here.
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275 drugs and their human oral bioavalability values have been given in the supplementary material of the paper. These values have in turn been taken from Goodman & Gilman's The Pharmacological Basis of Therapeutics, VIII and X Editions. The datasets are available from the QSAR World pages: http://www.qsarworld.com/qsar-datasets-veber.php
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Jennifer D. Irvine, Lori Takahashi, Karen Lockhart, Jonathan Cheong, John W. Tolan, H. E. Selick, and J. Russell Grove.
MDCK (Madin-Darby Canine Kidney) Cells: a Tool for Membrane Permeability Screening, J. Pharm. Sci. 2000, 88(1), 28-33
A total of 55 drugs and their human % absorption values have been made available by the authors. One compound, "0311C90", was obtained by authors from Glaxo-Wellcome and we have not provided its structure or values here in our files. Compounds "acebutolol HCl", "alprenolol HCl", "bupropion HCl", "labetatol HCl", "oxyprenolol HCl", "propranolol HCl", "ranitidine HCl", and "sotalol HCl" were retrieved as "acebutolol", "alprenolol", "bupropion", "labetatol", "oxyprenolol", "propranolol", "ranitidine" and "sotalol". To the best of our understanding, this should not matter for QSAR modeling purposes. Further, "terbutaline hemisulfate" was retrieved as "terbutaline".
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S. Agatonovic-Kustrin, R. Beresford and A. Pauzi M. Yusof.
Theoretically-derived molecular descriptors important in human intestinal absorption, J. Pharm. Biomed. Anal. 2001, 44(12), 1927 - 1937
86 drugs and their experimentally-derived Intestinal Absorption (%) values have been given. "Fluconasole" was retrieved as "Fluconazole" and "Hydrocortizone" as "hydrocortisone" from ChemIDplus. Drugs were either part of 'Training and testing data sets' or 'Validation data set'. This scheme has been indicated in a 'Label' column in the AMP file.
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Zhao YH, Abraham MH, Le J, Hersey A, Luscombe CN, Beck G, Sherborne B, and Cooper I.
Rate-limited Steps of Human Oral Absorption and QSAR Studies, Pharm Res., 2002, 19(10), 1446-57
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Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa.
Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
The molecular weight and electrotopological E-state indices were used to estimate by Artificial Neural Networks aqueous solubility for a diverse set of 1291 organic compounds. The neural network with 33-4-1 neurons provided highly predictive results with r2 = 0.91 and RMS = 0.62.
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Franco Lombardo, R. Scott Obach, Marina Y. Shalaeva, and Feng Gao.
Prediction of Human Volume of Distribution Values for Neutral and Basic Drugs. 2. Extended Data Set and Leave-Class-Out Statistics, J. Med. Chem., 2004, 47(5), 1242-1250
In all, 120 compounds, their VDss (volume-of-distribution in steady-state) Fu (fraction unbound in human plasma) values have been given. The same have been provided here in .sdf and .txt files.
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E. L. Willighagen, H. M. G. W. Denissen, R. Wehrens, and L. M. C. Buydens.
On the Use of 1H and 13C 1D NMR Spectra as QSPR Descriptors, J. Chem. Inf. Model., 46 (2), 487-494, 2006
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User Data
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Redirected by Users, Redirect Approved by Experts
254-465-1
[EINECS/ELINCS]
4-13-00-01091 (Beilstein Handbook Reference)
[Beilstein]
4-Hydroxyanilid kyseliny octove
[Czech]
acetamide, N-(4-hydroxyphenyl)-
Acetamide, N-(p-hydroxyphenyl)-
Acetaminophen (JP15/USP)
N-(4-Hydroxyphenyl)acetamide
N-(4-Hydroxyphényl)acétamide
103-90-2
103-90-2
[RN]
More...
203-157-5
[EINECS/ELINCS]
2208089
[Beilstein]
222 AF
255-881-6
[EINECS/ELINCS]
337376-15-5
[RN]
39465-00-4
[RN]
4-(Acetylamino)phenol
42553-65-1
[RN]
4-Acetamidophenol
4-Acetaminophenol
4'-hydroxyacetanilide
4-Hydroxyacetanilide
77097-85-9
[RN]
8055-08-1
[RN]
82400-20-2
[RN]
A.F. Anacin
Abenol
Abensanil
Abrol
Abrolet
Acamol
[Wiki]
Accu-Tap
Acenol
Acephen
Acertol
Acetaco
Acetagesic
Acetalgin
Acetamidophenol
acetaminofen
Acetaminophen
[Wiki]
ACETAMINOPHEN (4-HYDROXYACETANILIDE)
acetaminophene
Acetamol
Acetanilide, 4'-hydroxy-
Acetofen
Acetominophen
Actifed Plus
ACTRON
Afebrin
Afebryl
Aferadol
Algesidal
Algina
Algomol
Algotropyl
Alpiny
alpinyl
alvedon
Amadil
Anacin 3
Anacin3
Anacin-3
Anaflon
Analter
Anapap
Andox
anelix
Anexsia
[Wiki]
Anhiba
Anti-Algos
Antidol
Anuphen
Apacet
apadon
Apamid
Apamide
Apamide.
APAP
A-Per
Apitrelal
Arfen
Arthralgen
Asetam
Asomal
Aspac
Asplin
Atralidon
Babikan
Bacetamol
BANCAP
Banesin
Benmyo
Ben-u-ron
Bickie-mol
Biocetamol
Cadafen
Calapol
Calmanticold
Calpol
[Wiki]
Capital
CAPITAL WITH CODEINE
Captin
CAS-103-90-2
Causalon
Cetadol
Claradol Codeine
clixodyne
Codabrol
Cod-Acamol Forte
Codalgin
Codapane
Codicet
Codisal
Codisal Forte
Codoliprane
Codral Pain Relief
Cofamol
Conacetol
Contra-Schmerz P
Coricidin D
Coricidin Sinus
Cosutone
Crocin
Croix Blanche
Cuponol
Curadon
Curpol
Custodial
D
oliprane
D000082
Dafalgan
Darocet
Darvocet-N
Datril
Daygrip
Demilets
Deminofen
Democyl
Demogripal
Desfebre
Dhamol
DHCplus
Dial-a-gesic
Dimindol
Dirox
Disprol
Dolcor
Dolefin
Dolegrippin
Dolgesic
Doliprane
Dolko
Dolofugin
Doloreduct
Dolorfug
Dolorol Forte
Dolorstop
Dolotec
Dolprone
Dol-Stop
Dorocoff
Dresan
Dristan
Dristan Cold No Drowsiness
Dristancito
Drixoral Cold & Flu
Drixoral Sinus
Duaneo
Dularin
Duorol
Duracetamol
Durapan
Dymadon
Dymadon Co
Dymadon Forte
Dypap
Ecosetol
efferalgan
Elixodyne
Empracet
Endecon
Enelfa
Eneril
Eu-Med
Excipain
Exdol
Fanalgic
Farmadol
Febranine
Febrectal
Febrectol
Febrex
Febricet
Febridol
Febrilix
Febrin
Febrinol
febro-gesic
febrolin
fendon
Fensum
Fepanil
Fevor
Finimal
Finiweh
Fluparmol
Fortalidon P
Freka-cetamol
G 1
G-1
Gattaphen T
Gelocatil
Geluprane
Geralgine-P
Gripin Bebe
Grippostad
Gynospasmine
Hedex
Helon N
Homoolan
Hycomine Compound
Hydroxyacetanilide
Hy-Phen
Ildamol
Inalgex
Infadrops
Influbene N
INJECTAPAP
Intensin
janupap
Junior Disprol
Kataprin
Kinder Finimal
Korum
Kratofin simplex
Labamol
Lekadol
Lemgrip
Lemsip
[Wiki]
lestemp
Liqiprine
liquagesic
Liquigesic Co
Liquiprin
lonari
d
lonarid
Lonarid Mono
Lupocet
Lyteca
lyteca syrup
Magnidol
Malex N
Malgis
Malidens
Maxadol
Medinol Paediatric
Medocodene
Melabon Infantil
Mexalen
Midol Maximum Strength
Midol PM Night Time Formula
Midol Regular Strength
Midol Teen Formula
Migraleve Yellow
Minafen
Minoset
Miralgin
Momentum
Mono Praecimed
multin
N-(4-Hydroxyphenyl)acetamid
N-(4-Hydroxyphenyl)acetanilide
N-(p-hydroxyphenyl)acetamide
N-Acetyl-4-aminophenol
N-Acetyl-p-aminophenol
Naldegesic
NAPA
napafen
NAPAP
Naprinol
Nealgyl
NeoCitran
[Wiki]
Neodol
Neodolito
Neo-Fepramol
Neotrend
Neuridon
New Cortal for Children
NilnOcen
Nina
Nobedon
Nodolex
No-Febril
Noral
Oltyl
Oralgan
Ornex Severe Cold Formula
Ortensan
Oxycocet
p-(Acetylamino)phenol
Paceco
[Wiki]
Pacemo
Pacemol
Pacet
p-acetamidophenol
p-acetaminophenol
p-Acetylaminophenol
Pacimol
Paedialgon
Paedol
Painex
Paldesic
Pamol
Panacete
Panadeine
[Wiki]
Panadeine Co
Panadiene
Panado-Co
Panado-Co Caplets
Panadol
[Wiki]
Panale
ve
Panamax
[Wiki]
Panasorbe
Panets
Panex
Panodil
[Wiki]
Panofen
Pantalgin
Paracemol
Paracenol
Paracet
[Wiki]
paracetamol
[Wiki]
Paracetamole
Paracetamolo
paracetamolum
[Latin]
Paracetanol
Paracetol
Paracin
[Wiki]
Paracod
Paracodol
Parador
[Wiki]
Paradrops
Parakapton
Parake
Paralen
Paralief
Paralink
Paralyoc
Paramol
Paramolan
Paranox
Parapan
Parasedol
Parasin
Paraspen
Para-Suppo
Para-Tabs
Parcetol
Parmol
Parogal
Paroma
Pediapirin
Pediatrix
pedric
Perdolan Mono
Pe-Tam
Phenaphen
phendon
Phenipirin
Phenol, p-acetamido-
Phogoglandin
p-hydroxyacetanilide
p-hydroxyphenolacetamide
Pinex
Piramin
Pirinasol
Plicet
Polmofen
Predimol
Predualito
Prodol
Prompt
[Wiki]
Prontina
Propacet
Proxyphene/Acetamine
Puernol
Pulmofen
Pyregesic-C
Pyrigesic
pyrinazine
Pyromed
Reliv
Remedol
Rivalgyl
Robitussin Night Relief
Rockamol Plus
Rounox
RubieMol
Rubophen
Rupemol
Salzone
Sanicet
Sanicopyrine
Scanol
Scentalgyl
Scherzatabletten Rezeptur 534
Schmerzex
Sedalito
Semolacin
Servigesic
Seskamol
Setakop
Setamol
Setol
Sifenol
Sinaspril
Sine-Aid, Maximum Strength
Sinedol
Sine-Off Sinus Medicine Caplets
Sinmol
Sinutab
solpadeine
Spalt fur die nacht
Spalt N
Stanback
Stopain
Sunetheton
Supac
Supadol mono
Supofen
Suppap
Supramol-M
Tabalgin
Tachiprina
Tapar
Tazamol
Temlo
tempanal
Termacet
Termalgin
Termalgine
Termofren
Tiffy
Titralgan
Toximer P
Tralgon
Treupel mon
Treupel N
Treuphadol
Tricoton
tussapap
Ty
lenol
TYL
Tylenol
[Wiki]
Tylenol (TN)
Tylenol Allergy Sinus
Tylex
[Wiki]
Tylex CD
Tylol
TYLOX
[Wiki]
Tymol
Upsanol
Utragin
Valadol
valdol
Valgesic
Veralgina
Vermidon
Verpol
Vips
Viruflu
Vivimed
Volpan
Zatinol
Zolben
Less...
Validated by Experts, Validated by Users, Non-Validated, Removed by Users,
Redirected by Users, Redirect Approved by Experts
|
ACD/LogP: |
0.34
|
# of Rule of 5 Violations: |
0
|
|
ACD/LogD (pH 5.5): |
0.34
|
ACD/LogD (pH 7.4): |
0.34
|
|
ACD/BCF (pH 5.5): |
1.06
|
ACD/BCF (pH 7.4): |
1.06
|
|
ACD/KOC (pH 5.5): |
36.4
|
ACD/KOC (pH 7.4): |
36.29
|
|
#H bond acceptors: |
3
|
#H bond donors: |
2
|
|
#Freely Rotating Bonds: |
2
|
Polar Surface Area: |
29.54
Å2
|
|
Index of Refraction: |
1.618
|
Molar Refractivity: |
42.4
cm3
|
|
Molar Volume: |
120.9
cm3
|
Polarizability: |
16.81
10-24cm3
|
|
Surface Tension: |
52.8
dyne/cm
|
Density: |
1.249
g/cm3
|
|
Flash Point: |
188.4
°C
|
Enthalpy of Vaporization: |
66.19
kJ/mol
|
|
Boiling Point: |
387.8
°C at 760 mmHg
|
Vapour Pressure: |
1.43E-06
mmHg at 25°C
|
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 0.27
Log Kow (Exper. database match) = 0.46
Exper. Ref: Sangster (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 340.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 119.92 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.94E-006 (Modified Grain method)
MP (exp database): 170 deg C
Subcooled liquid VP: 6.12E-005 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3.035e+004
log Kow used: 0.46 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1.4e+004 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.3665e+005 mg/L
Wat Sol (Exper. database match) = 14000.00
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Phenols
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 6.42E-013 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 1.271E-011 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.46 (exp database)
Log Kaw used: -10.581 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.041
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0015
Biowin2 (Non-Linear Model) : 0.9886
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8673 (weeks )
Biowin4 (Primary Survey Model) : 3.8748 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4866
Biowin6 (MITI Non-Linear Model): 0.5090
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1124
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.00816 Pa (6.12E-005 mm Hg)
Log Koa (Koawin est ): 11.041
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000368
Octanol/air (Koa) model: 0.027
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0131
Mackay model : 0.0286
Octanol/air (Koa) model: 0.683
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 17.6761 E-12 cm3/molecule-sec
Half-Life = 0.605 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.261 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi): 0.0208 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 61.72
Log Koc: 1.790
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: 0.46 (expkow database)
Volatilization from Water:
Henry LC: 6.42E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.121E+009 hours (4.672E+007 days)
Half-Life from Model Lake : 1.223E+010 hours (5.097E+008 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.57e-005 14.5 1000
Water 37.5 360 1000
Soil 62.4 720 1000
Sediment 0.0705 3.24e+003 0
Persistence Time: 589 hr
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 0.27
Log Kow (Exper. database match) = 0.46
Exper. Ref: Sangster (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 340.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 119.92 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.94E-006 (Modified Grain method)
MP (exp database): 170 deg C
Subcooled liquid VP: 6.12E-005 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3.035e+004
log Kow used: 0.46 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1.4e+004 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.3665e+005 mg/L
Wat Sol (Exper. database match) = 14000.00
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Phenols
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 6.42E-013 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 1.271E-011 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.46 (exp database)
Log Kaw used: -10.581 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.041
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0015
Biowin2 (Non-Linear Model) : 0.9886
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8673 (weeks )
Biowin4 (Primary Survey Model) : 3.8748 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4866
Biowin6 (MITI Non-Linear Model): 0.5090
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1124
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.00816 Pa (6.12E-005 mm Hg)
Log Koa (Koawin est ): 11.041
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000368
Octanol/air (Koa) model: 0.027
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0131
Mackay model : 0.0286
Octanol/air (Koa) model: 0.683
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 17.6761 E-12 cm3/molecule-sec
Half-Life = 0.605 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.261 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi): 0.0208 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 61.72
Log Koc: 1.790
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: 0.46 (expkow database)
Volatilization from Water:
Henry LC: 6.42E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.121E+009 hours (4.672E+007 days)
Half-Life from Model Lake : 1.223E+010 hours (5.097E+008 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.57e-005 14.5 1000
Water 37.5 360 1000
Soil 62.4 720 1000
Sediment 0.0705 3.24e+003 0
Persistence Time: 589 hr
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 0.27
Log Kow (Exper. database match) = 0.46
Exper. Ref: Sangster (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 340.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 119.92 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.94E-006 (Modified Grain method)
MP (exp database): 170 deg C
Subcooled liquid VP: 6.12E-005 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3.035e+004
log Kow used: 0.46 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1.4e+004 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.3665e+005 mg/L
Wat Sol (Exper. database match) = 14000.00
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Phenols
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 6.42E-013 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 1.271E-011 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.46 (exp database)
Log Kaw used: -10.581 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.041
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0015
Biowin2 (Non-Linear Model) : 0.9886
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8673 (weeks )
Biowin4 (Primary Survey Model) : 3.8748 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4866
Biowin6 (MITI Non-Linear Model): 0.5090
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1124
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.00816 Pa (6.12E-005 mm Hg)
Log Koa (Koawin est ): 11.041
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000368
Octanol/air (Koa) model: 0.027
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0131
Mackay model : 0.0286
Octanol/air (Koa) model: 0.683
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 17.6761 E-12 cm3/molecule-sec
Half-Life = 0.605 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.261 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi): 0.0208 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 61.72
Log Koc: 1.790
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: 0.46 (expkow database)
Volatilization from Water:
Henry LC: 6.42E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.121E+009 hours (4.672E+007 days)
Half-Life from Model Lake : 1.223E+010 hours (5.097E+008 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.57e-005 14.5 1000
Water 37.5 360 1000
Soil 62.4 720 1000
Sediment 0.0705 3.24e+003 0
Persistence Time: 589 hr
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 0.27
Log Kow (Exper. database match) = 0.46
Exper. Ref: Sangster (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 340.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 119.92 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.94E-006 (Modified Grain method)
MP (exp database): 170 deg C
Subcooled liquid VP: 6.12E-005 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3.035e+004
log Kow used: 0.46 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1.4e+004 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.3665e+005 mg/L
Wat Sol (Exper. database match) = 14000.00
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Phenols
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 6.42E-013 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 1.271E-011 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.46 (exp database)
Log Kaw used: -10.581 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.041
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0015
Biowin2 (Non-Linear Model) : 0.9886
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8673 (weeks )
Biowin4 (Primary Survey Model) : 3.8748 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4866
Biowin6 (MITI Non-Linear Model): 0.5090
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1124
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.00816 Pa (6.12E-005 mm Hg)
Log Koa (Koawin est ): 11.041
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000368
Octanol/air (Koa) model: 0.027
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0131
Mackay model : 0.0286
Octanol/air (Koa) model: 0.683
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 17.6761 E-12 cm3/molecule-sec
Half-Life = 0.605 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.261 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi): 0.0208 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 61.72
Log Koc: 1.790
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: 0.46 (expkow database)
Volatilization from Water:
Henry LC: 6.42E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.121E+009 hours (4.672E+007 days)
Half-Life from Model Lake : 1.223E+010 hours (5.097E+008 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.57e-005 14.5 1000
Water 37.5 360 1000
Soil 62.4 720 1000
Sediment 0.0705 3.24e+003 0
Persistence Time: 589 hr
Descriptors:
0, 0, 0, 1, 0, 0, 0, 2, 0, 0, 1, 2, 3, 4, 0, 0, 6, 2, 1, 0, 0, 0, 0, 0
| Category | Target | PDB Code | LASSO Score |
| Other Enzymes | PARP, poly(ADP-ribose) polymerase | 1efy | 0.80 |
| Other Enzymes | COX-1, cyclooxygenase-1 | 1p4g | 0.03 |
| Nuclear Hormone Receptors | PPARg, peroxisome proliferator activated receptor | 1fm9 | 0.03 |
| Serine Proteases | FXa, factor Xa | 1f0r | 0.02 |
| Kinases | SRC, tyrosine kinase SRC | 2src | 0.01 |
| Other Enzymes | HMGR, hydroxymethylglutaryl-CoA reductase | 1hw8 | 0.01 |
| Other Enzymes | HIVPR, HIV protease | 1hpx | 0.01 |
| Nuclear Hormone Receptors | MR, mineralocorticoid receptor | 2aa2 | 0.01 |
| Other Enzymes | HIVRT, HIV reverse transcriptase | 1rt1 | 0.01 |
| Nuclear Hormone Receptors | PR, progesterone receptor | 1sr7 | 0.01 |
| Nuclear Hormone Receptors | ER, estrogen receptor; antagonist | 3ert | 0.01 |
| Metalloenzymes | ACE, angiotensin-converting enzyme | 1o86 | 0.00 |
| Other Enzymes | AmpC, AmpC beta-lactamase | 1xgj | 0.00 |
| Kinases | PDGFrb, platelet derived growth factor receptor kinase | N/A | 0.00 |
| Other Enzymes | PNP, purine nucleoside phosphorylase | 1b8o | 0.00 |
| Kinases | VEGFr2, vascular endothelial growth factor receptor | 1vr2 | 0.00 |
| Nuclear Hormone Receptors | ER, estrogen receptor; agonist | 1l2i | 0.00 |
| Folate Enzymes | DHFR, dihydrofolate reductase | 3dfr | 0.00 |
| Metalloenzymes | COMT, catechol O-methyltransferase | 1h1d | 0.00 |
| Other Enzymes | GPB, glycogen phosphorylase | 1a8i | 0.00 |
| Kinases | FGFr1, fibroblast growth factor receptor kinase | 1agw | 0.00 |
| Folate Enzymes | GART, glycinamide ribonucleotide transformylase | 1c2t | 0.00 |
| Other Enzymes | AChE, acetylcholinesterase | 1eve | 0.00 |
| Other Enzymes | NA, neuraminidase | 1a4g | 0.00 |
| Nuclear Hormone Receptors | AR, androgen receptor | 1xq2 | 0.00 |
| Nuclear Hormone Receptors | RXRa, retinoic X receptor R | 1mvc | 0.00 |
| Serine Proteases | Thrombin | 1ba8 | 0.00 |
| Metalloenzymes | ADA, adenosine deaminase | 1stw | 0.00 |
| Kinases | P38 MAP, P38 mitogen activated protein | 1kv2 | 0.00 |
| Other Enzymes | SAHH, S-adenosyl-homocysteine hydrolase | 1a7a | 0.00 |
| Kinases | HSP90, human heat shock protein 90 | 1uy6 | 0.00 |
| Kinases | TK, thymidine kinase | 1kim | 0.00 |
| Kinases | CDK2, cyclindependent kinase 2 | 1ckp | 0.00 |
| Kinases | EGFr, epidermal growth factor receptor | 1m17 | 0.00 |
| Other Enzymes | COX-2, cyclooxygenase-2 | 1cx2 | 0.00 |
|
|