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- Double-bond stereo
4-(Dimethylamino)-N'-{(3Z)-1-[(dipropylamino)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}benzohydrazide
CCCN(CCC)CN1c2ccccc2/C(=N/NC(=O)c3ccc(cc3)N(C)C)/C1=O
InChI=1S/C24H31N5O2/c1-5-15-28(16-6-2)17-29-21-10-8-7-9-20(21)22(24(29)31)25-26-23(30)18-11-13-19(14-12-18)27(3)4/h7-14H,5-6,15-17H2,1-4H3,(H,26,30)/b25-22-
GVNQCVPYRHKNBB-LVWGJNHUSA-N
CSID:4894901, http://www.chemspider.com/Chemical-Structure.4894901.html (accessed 04:11, May 22, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 620.33 (Adapted Stein & Brown method) Melting Pt (deg C): 268.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.54E-014 (Modified Grain method) Subcooled liquid VP: 2.17E-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): 4.807 log Kow used: 3.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 32.333 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 : 9.13E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.239E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.13 (KowWin est) Log Kaw used: -10.428 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.558 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3465 Biowin2 (Non-Linear Model) : 0.0087 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7038 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8690 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2705 Biowin6 (MITI Non-Linear Model): 0.0007 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.8333 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): 2.89E-009 Pa (2.17E-011 mm Hg) Log Koa (Koawin est ): 13.558 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.04E+003 Octanol/air (Koa) model: 8.87 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 333.6433 E-12 cm3/molecule-sec Half-Life = 0.032 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.082 Min Ozone Reaction: No Ozone Reaction Estimation 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 : 1.102E+005 Log Koc: 5.042 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 = 1.707 (BCF = 50.99) log Kow used: 3.13 (estimated) Volatilization from Water: Henry LC: 9.13E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.317E+009 hours (5.486E+007 days) Half-Life from Model Lake : 1.436E+010 hours (5.985E+008 days) Removal In Wastewater Treatment: Total removal: 6.96 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.83 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 0.00868 0.769 1000 Water 8.78 4.32e+003 1000 Soil 90.9 8.64e+003 1000 Sediment 0.347 3.89e+004 0 Persistence Time: 3.94e+003 hr
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