Found 169 results

Search term: MF = 'C_{18}H_{14}IN_{3}O_{2}'
ChemSpider 2D Image | 2-Hydroxy-N'-{(E)-[1-(4-iodophenyl)-1H-pyrrol-2-yl]methylene}benzohydrazide | C18H14IN3O2

2-Hydroxy-N'-{(E)-[1-(4-iodophenyl)-1H-pyrrol-2-yl]methylene}benzohydrazide

  • Molecular FormulaC18H14IN3O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5265347

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Hydroxy-N'-{(E)-[1-(4-iodophenyl)-1H-pyrrol-2-yl]methylene}benzohydrazide [ACD/IUPAC Name]
2-Hydroxy-N'-{(E)-[1-(4-iodophényl)-1H-pyrrol-2-yl]méthylène}benzohydrazide [French] [ACD/IUPAC Name]
2-Hydroxy-N'-{(E)-[1-(4-iodphenyl)-1H-pyrrol-2-yl]methylen}benzohydrazid [German] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-, 2-[(1E)-[1-(4-iodophenyl)-1H-pyrrol-2-yl]methylene]hydrazide [ACD/Index Name]
2-Hydroxy-benzoic acid [1-(4-iodo-phenyl)-1H-pyrrol-2-ylmethylene]-hydrazide
2-hydroxy-N-[(E)-[1-(4-iodophenyl)pyrrol-2-yl]methylideneamino]benzamide
2-HYDROXY-N`-[(1E)-[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLIDENE]BENZOHYDRAZIDE
2-HYDROXY-N`-[(1E)-[1-(4-IODOPHENYL)PYRROL-2-YL]METHYLIDENE]BENZOHYDRAZIDE
2-hydroxy-N'-{(E)-[1-(4-iodophenyl)-1H-pyrrol-2-yl]methylidene}benzohydrazide
444597-75-5 [RN]
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    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) =  4.90

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  572.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  246.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.36E-013  (Modified Grain method)
    Subcooled liquid VP: 3.44E-011 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):  0.4909
       log Kow used: 4.89 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12.012 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.89E-017  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.572E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.90  (KowWin est)
  Log Kaw used:  -14.440  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.340
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1006
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2576  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.1382  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.8099
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0998
 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):  4.59E-009 Pa (3.44E-011 mm Hg)
  Log Koa (Koawin est  ): 19.340
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  654 
       Octanol/air (Koa) model:  5.37E+006 
   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 = 207.5800 E-12 cm3/molecule-sec
      Half-Life =     0.052 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.618 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    :  4.138E+005
      Log Koc:  5.617 

 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 = 3.069 (BCF = 1173)
       log Kow used: 4.89 (estimated)

 Volatilization from Water:
    Henry LC:  8.89E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.368E+013  hours   (5.698E+011 days)
    Half-Life from Model Lake : 1.492E+014  hours   (6.217E+012 days)

 Removal In Wastewater Treatment:
    Total removal:              74.28  percent
    Total biodegradation:        0.65  percent
    Total sludge adsorption:    73.63  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       2.38e-005       1.24         1000       
   Water     8.6             900          1000       
   Soil      75.6            1.8e+003     1000       
   Sediment  15.8            8.1e+003     0          
     Persistence Time: 2.17e+003 hr

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