Try beta.chemspider
N-(3,4-Difluorophenyl)-3-[(3,4-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide
COc1ccc(cc1OC)C(=O)Nc2c3ccccc3oc2C(=O)Nc4ccc(c(c4)F)F
InChI=1S/C24H18F2N2O5/c1-31-19-10-7-13(11-20(19)32-2)23(29)28-21-15-5-3-4-6-18(15)33-22(21)24(30)27-14-8-9-16(25)17(26)12-14/h3-12H,1-2H3,(H,27,30)(H,28,29)
PGGYYKHNNUXLFN-UHFFFAOYSA-N
CSID:18405483, http://www.chemspider.com/Chemical-Structure.18405483.html (accessed 22:57, Apr 28, 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) = 4.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 663.19 (Adapted Stein & Brown method) Melting Pt (deg C): 288.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.89E-015 (Modified Grain method) Subcooled liquid VP: 1.6E-012 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): 0.4997 log Kow used: 4.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0052134 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.04E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.252E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.05 (KowWin est) Log Kaw used: -14.079 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.129 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4037 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.1608 (recalcitrant) Biowin4 (Primary Survey Model) : 3.7870 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1277 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0571 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): 2.13E-010 Pa (1.6E-012 mm Hg) Log Koa (Koawin est ): 18.129 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.41E+004 Octanol/air (Koa) model: 3.3E+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 = 66.0653 E-12 cm3/molecule-sec Half-Life = 0.162 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.943 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 : 4.143E+004 Log Koc: 4.617 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 = 2.419 (BCF = 262.4) log Kow used: 4.05 (estimated) Volatilization from Water: Henry LC: 2.04E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.105E+012 hours (2.544E+011 days) Half-Life from Model Lake : 6.66E+013 hours (2.775E+012 days) Removal In Wastewater Treatment: Total removal: 32.40 percent Total biodegradation: 0.34 percent Total sludge adsorption: 32.06 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 0.000394 3.89 1000 Water 4.03 4.32e+003 1000 Soil 94 8.64e+003 1000 Sediment 1.97 3.89e+004 0 Persistence Time: 8.09e+003 hr
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