Try beta.chemspider
N'-[(3Z)-6-Bromo-5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-2-(4-methoxyphenyl)acetohydrazide
Cc1cc\2c(cc1Br)NC(=O)/C2=N\NC(=O)Cc3ccc(cc3)OC
InChI=1S/C18H16BrN3O3/c1-10-7-13-15(9-14(10)19)20-18(24)17(13)22-21-16(23)8-11-3-5-12(25-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,21,23)(H,20,22,24)
JBBXTXYDNWRMAT-UHFFFAOYSA-N
CSID:4560050, http://www.chemspider.com/Chemical-Structure.4560050.html (accessed 12:58, Jun 14, 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) = 3.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 580.17 (Adapted Stein & Brown method) Melting Pt (deg C): 250.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.65E-013 (Modified Grain method) Subcooled liquid VP: 2.42E-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): 7.614 log Kow used: 3.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 849.14 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.24E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.013E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.03 (KowWin est) Log Kaw used: -11.038 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.068 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6965 Biowin2 (Non-Linear Model) : 0.0131 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2062 (months ) Biowin4 (Primary Survey Model) : 3.3114 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5752 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5635 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): 3.23E-008 Pa (2.42E-010 mm Hg) Log Koa (Koawin est ): 14.068 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 93 Octanol/air (Koa) model: 28.7 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 = 173.4598 E-12 cm3/molecule-sec Half-Life = 0.062 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.740 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.912100 E-17 cm3/molecule-sec Half-Life = 1.256 Days (at 7E11 mol/cm3) Half-Life = 30.155 Hrs 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 : 2.579E+005 Log Koc: 5.411 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 = 1.636 (BCF = 43.22) log Kow used: 3.03 (estimated) Volatilization from Water: Henry LC: 2.24E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.242E+009 hours (2.184E+008 days) Half-Life from Model Lake : 5.719E+010 hours (2.383E+009 days) Removal In Wastewater Treatment: Total removal: 5.95 percent Total biodegradation: 0.13 percent Total sludge adsorption: 5.83 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 0.00597 1.41 1000 Water 11.3 1.44e+003 1000 Soil 88.4 2.88e+003 1000 Sediment 0.305 1.3e+004 0 Persistence Time: 2.44e+003 hr
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