ChemSpider 2D Image | 3-(3,6-Dichloro-9H-carbazol-9-yl)-N'-[(E)-2-furylmethylene]propanehydrazide | C20H15Cl2N3O2

3-(3,6-Dichloro-9H-carbazol-9-yl)-N'-[(E)-2-furylmethylene]propanehydrazide

  • Molecular FormulaC20H15Cl2N3O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5264679

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(3,6-Dichlor-9H-carbazol-9-yl)-N'-[(E)-2-furylmethylen]propanhydrazid [German] [ACD/IUPAC Name]
3-(3,6-Dichloro-9H-carbazol-9-yl)-N'-[(E)-2-furylmethylene]propanehydrazide [ACD/IUPAC Name]
3-(3,6-Dichloro-9H-carbazol-9-yl)-N'-[(E)-2-furylméthylène]propanehydrazide [French] [ACD/IUPAC Name]
9H-Carbazole-9-propanoic acid, 3,6-dichloro-, 2-[(1E)-2-furanylmethylene]hydrazide [ACD/Index Name]
3-(3,6-dichloro-9H-carbazol-9-yl)-N'-(2-furylmethylene)propanohydrazide
3-(3,6-dichloro-9H-carbazol-9-yl)-N'-[(E)-furan-2-ylmethylidene]propanehydrazide
3-(3,6-dichlorocarbazol-9-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide
3-(3,6-Dichloro-carbazol-9-yl)-propionic acid furan-2-ylmethylene-hydrazide
301160-23-6 [RN]
N-((1E)-2-(2-furyl)-1-azavinyl)-3-(3,6-dichlorocarbazol-9-yl)propanamide

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

BAS 00461920 [DBID]
ZINC04750710 [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) =  4.98

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  579.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  249.89  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.86E-013  (Modified Grain method)
    Subcooled liquid VP: 2.47E-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):  0.01332
       log Kow used: 4.98 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.18084 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.40E-014  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.503E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.98  (KowWin est)
  Log Kaw used:  -11.745  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.725
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1921
   Biowin2 (Non-Linear Model)     :   0.0012
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9014  (months      )
   Biowin4 (Primary Survey Model) :   2.9396  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3033
   Biowin6 (MITI Non-Linear Model):   0.0007
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7423
 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):  3.29E-008 Pa (2.47E-010 mm Hg)
  Log Koa (Koawin est  ): 16.725
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  91.1 
       Octanol/air (Koa) model:  1.3E+004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 116.2447 E-12 cm3/molecule-sec
      Half-Life =     0.092 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.104 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   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    :  6.098E+006
      Log Koc:  6.785 

 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 = 3.132 (BCF = 1355)
       log Kow used: 4.98 (estimated)

 Volatilization from Water:
    Henry LC:  4.4E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.662E+010  hours   (1.109E+009 days)
    Half-Life from Model Lake : 2.904E+011  hours   (1.21E+010 days)

 Removal In Wastewater Treatment:
    Total removal:              77.06  percent
    Total biodegradation:        0.67  percent
    Total sludge adsorption:    76.38  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       0.00102         2.21         1000       
   Water     6.29            1.44e+003    1000       
   Soil      75.3            2.88e+003    1000       
   Sediment  18.4            1.3e+004     0          
     Persistence Time: 3.43e+003 hr

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