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- Double-bond stereo
N-[4-({(2E)-2-[(9-Ethyl-9H-carbazol-3-yl)methylene]hydrazino}carbonyl)phenyl]propanamide
CCC(=O)Nc1ccc(cc1)C(=O)N/N=C/c2ccc3c(c2)c4ccccc4n3CC
InChI=1S/C25H24N4O2/c1-3-24(30)27-19-12-10-18(11-13-19)25(31)28-26-16-17-9-14-23-21(15-17)20-7-5-6-8-22(20)29(23)4-2/h5-16H,3-4H2,1-2H3,(H,27,30)(H,28,31)/b26-16+
CZBIUXMMPCKXLX-WGOQTCKBSA-N
CSID:5267990, http://www.chemspider.com/Chemical-Structure.5267990.html (accessed 05:18, May 10, 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
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) = 4.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 676.14 (Adapted Stein & Brown method) Melting Pt (deg C): 294.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.17E-016 (Modified Grain method) Subcooled liquid VP: 7.24E-013 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): 0.01867 log Kow used: 4.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.16501 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.13E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.084E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.72 (KowWin est) Log Kaw used: -13.060 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.780 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5561 Biowin2 (Non-Linear Model) : 0.0847 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9786 (months ) Biowin4 (Primary Survey Model) : 3.1700 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2929 Biowin6 (MITI Non-Linear Model): 0.0011 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9305 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): 9.65E-011 Pa (7.24E-013 mm Hg) Log Koa (Koawin est ): 17.780 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.11E+004 Octanol/air (Koa) model: 1.48E+005 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 = 217.5244 E-12 cm3/molecule-sec Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.590 Hrs 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 : 5.5E+005 Log Koc: 5.740 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 = 2.931 (BCF = 853.3) log Kow used: 4.72 (estimated) Volatilization from Water: Henry LC: 2.13E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.583E+011 hours (2.326E+010 days) Half-Life from Model Lake : 6.09E+012 hours (2.538E+011 days) Removal In Wastewater Treatment: Total removal: 66.90 percent Total biodegradation: 0.60 percent Total sludge adsorption: 66.29 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 0.0127 1.18 1000 Water 8.73 1.44e+003 1000 Soil 77 2.88e+003 1000 Sediment 14.3 1.3e+004 0 Persistence Time: 2.5e+003 hr
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