Try beta.chemspider
4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy}-N'-[(phenylcarbamoyl)oxy]benzenecarboximidamide
c1ccc(cc1)NC(=O)ON=C(c2ccc(cc2)OCc3c(cc(cn3)C(F)(F)F)Cl)N
InChI=1S/C21H16ClF3N4O3/c22-17-10-14(21(23,24)25)11-27-18(17)12-31-16-8-6-13(7-9-16)19(26)29-32-20(30)28-15-4-2-1-3-5-15/h1-11H,12H2,(H2,26,29)(H,28,30)
VBQACTCOQLWLDZ-UHFFFAOYSA-N
CSID:2027182, http://www.chemspider.com/Chemical-Structure.2027182.html (accessed 05:17, Apr 24, 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) = 3.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 521.47 (Adapted Stein & Brown method) Melting Pt (deg C): 222.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.01E-011 (Modified Grain method) Subcooled liquid VP: 7.83E-009 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): 0.4908 log Kow used: 3.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.34673 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.20E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.489E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.97 (KowWin est) Log Kaw used: -15.309 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.279 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0712 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.2021 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8006 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4160 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4140 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): 1.04E-006 Pa (7.83E-009 mm Hg) Log Koa (Koawin est ): 19.279 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.87 Octanol/air (Koa) model: 4.67E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.99 Mackay model : 0.996 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 74.2010 E-12 cm3/molecule-sec Half-Life = 0.144 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.730 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.784E+005 Log Koc: 5.251 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.292E-002 L/mol-sec Kb Half-Life at pH 8: 86.334 days Kb Half-Life at pH 7: 2.364 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.355 (BCF = 226.5) log Kow used: 3.97 (estimated) Volatilization from Water: Henry LC: 1.2E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.052E+014 hours (4.383E+012 days) Half-Life from Model Lake : 1.148E+015 hours (4.781E+013 days) Removal In Wastewater Treatment: Total removal: 28.71 percent Total biodegradation: 0.31 percent Total sludge adsorption: 28.40 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 3.39e-009 3.46 1000 Water 4.08 4.32e+003 1000 Soil 94.3 8.64e+003 1000 Sediment 1.62 3.89e+004 0 Persistence Time: 8.09e+003 hr
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