ChemSpider 2D Image | 2-{[(E)-(4-Methoxybenzylidene)amino]oxy}-N'-(2-oxo-2H-indol-3-yl)acetohydrazide | C18H16N4O4

2-{[(E)-(4-Methoxybenzylidene)amino]oxy}-N'-(2-oxo-2H-indol-3-yl)acetohydrazide

  • Molecular FormulaC18H16N4O4
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5272606

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-({[(E)-(4-Methoxyphenyl)methylene]amino}oxy)-N'-[(3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
2-{[(E)-(4-Methoxybenzyliden)amino]oxy}-N'-(2-oxo-2H-indol-3-yl)acetohydrazid [German] [ACD/IUPAC Name]
2-{[(E)-(4-Methoxybenzylidene)amino]oxy}-N'-(2-oxo-2H-indol-3-yl)acetohydrazide [ACD/IUPAC Name]
2-{[(E)-(4-Méthoxybenzylidène)amino]oxy}-N'-(2-oxo-2H-indol-3-yl)acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[[(1E)-(4-methoxyphenyl)methylene]amino]oxy]-, 2-(2-oxo-2H-indol-3-yl)hydrazide [ACD/Index Name]
Acetic acid, 2-[[[(1E)-(4-methoxyphenyl)methylene]amino]oxy]-, 2-[(3E)-1,2-dihydro-2-oxo-3H-indol-3-ylidene]hydrazide
(4-Methoxy-benzylideneaminooxy)-acetic acid (2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazide
2-({[(E)-(4-methoxyphenyl)methylidene]amino}oxy)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
2-[(1E)-2-(4-methoxyphenyl)-1-azavinyloxy]-N-[(2-oxo(1H-benzo[d]azolin-3-ylidene))azamethyl]acetamide
2-[(4-methoxyphenyl)methylideneamino]oxy-N'-(2-oxoindol-3-yl)acetohydrazide
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 01842170 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  573.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  246.88  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.42E-012  (Modified Grain method)
    Subcooled liquid VP: 3.63E-010 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):  161.4
       log Kow used: 1.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  913.17 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines
       Hydrazines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.77E-014  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.079E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.84  (KowWin est)
  Log Kaw used:  -11.399  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.239
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7117
   Biowin2 (Non-Linear Model)     :   0.5631
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3624  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4165  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4162
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3178
 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):  4.84E-008 Pa (3.63E-010 mm Hg)
  Log Koa (Koawin est  ): 13.239
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  62 
       Octanol/air (Koa) model:  4.26 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.997 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 191.6231 E-12 cm3/molecule-sec
      Half-Life =     0.056 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.670 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.985000 E-17 cm3/molecule-sec
      Half-Life =     1.163 Days (at 7E11 mol/cm3)
      Half-Life =     27.923 Hrs
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.043E+005
      Log Koc:  5.781 

 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 = 0.716 (BCF = 5.195)
       log Kow used: 1.84 (estimated)

 Volatilization from Water:
    Henry LC:  9.77E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.125E+010  hours   (4.687E+008 days)
    Half-Life from Model Lake : 1.227E+011  hours   (5.113E+009 days)

 Removal In Wastewater Treatment:
    Total removal:               2.12  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.03  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       0.00381         1.28         1000       
   Water     26.5            900          1000       
   Soil      73.5            1.8e+003     1000       
   Sediment  0.0861          8.1e+003     0          
     Persistence Time: 1.3e+003 hr

Click to predict properties on the Chemicalize site


Advertisement