Found 1 result

Search term: TZCYYNKGRVCBOH (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-Hydroxy-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide | C15H11N3O3


  • Molecular FormulaC15H11N3O3
  • Average mass281.266 Da
  • Monoisotopic mass281.080048 Da
  • ChemSpider ID4534550

More details:

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

2-Hydroxy-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-yliden]benzohydrazid [German] [ACD/IUPAC Name]
2-Hydroxy-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide [ACD/IUPAC Name]
2-Hydroxy-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidène]benzohydrazide [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-, 2-[(3Z)-1,2-dihydro-2-oxo-3H-indol-3-ylidene]hydrazide [ACD/Index Name]
(2-hydroxyphenyl)-N-[(2-oxo(1H-benzo[d]azolidin-3-ylidene))azamethyl]carboxami de
2-Hydroxy-benzoic acid (2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazide
benzoic acid, 2-hydroxy-, (1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide

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

AIDS014270 [DBID]
AIDS-014270 [DBID]
BAS 00115056 [DBID]
CBDivE_002367 [DBID]
NCI60_011773 [DBID]
NSC635404 [DBID]
ZINC00127045 [DBID]
ZINC01512099 [DBID]
ZINC04587213 [DBID]
ZINC04737626 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.707
Molar Refractivity: 75.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.06
ACD/KOC (pH 5.5): 555.89
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 37.05
ACD/KOC (pH 7.4): 428.52
Polar Surface Area: 91 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 194.5±7.0 cm3

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

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.50

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  532.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  227.79  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.01E-012  (Modified Grain method)
    Subcooled liquid VP: 4.52E-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):  438
       log Kow used: 2.50 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9083e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.89E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.543E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.50  (KowWin est)
  Log Kaw used:  -9.799  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.299
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7294
   Biowin2 (Non-Linear Model)     :   0.4808
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6340  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4816  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3758
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2410
 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):  6.03E-008 Pa (4.52E-010 mm Hg)
  Log Koa (Koawin est  ): 12.299
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  49.8 
       Octanol/air (Koa) model:  0.489 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.975 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 193.3709 E-12 cm3/molecule-sec
      Half-Life =     0.055 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.664 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
   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    :  5.058E+004
      Log Koc:  4.704 

 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 = 1.226 (BCF = 16.82)
       log Kow used: 2.50 (estimated)

 Volatilization from Water:
    Henry LC:  3.89E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.524E+008  hours   (1.052E+007 days)
    Half-Life from Model Lake : 2.754E+009  hours   (1.147E+008 days)

 Removal In Wastewater Treatment:
    Total removal:               3.10  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.99  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       0.0359          1.27         1000       
   Water     20              900          1000       
   Soil      79.8            1.8e+003     1000       
   Sediment  0.164           8.1e+003     0          
     Persistence Time: 1.16e+003 hr


Click to predict properties on the Chemicalize site

Feedback Form