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N~2~-[(2-Fluorophenoxy)acetyl]-N~2~-methyl-N-[4-(4-morpholinyl)phenyl]glycinamide
CN(CC(=O)Nc1ccc(cc1)N2CCOCC2)C(=O)COc3ccccc3F
InChI=1S/C21H24FN3O4/c1-24(21(27)15-29-19-5-3-2-4-18(19)22)14-20(26)23-16-6-8-17(9-7-16)25-10-12-28-13-11-25/h2-9H,10-15H2,1H3,(H,23,26)
CFVJPAQBNHUHCB-UHFFFAOYSA-N
CSID:4063247, http://www.chemspider.com/Chemical-Structure.4063247.html (accessed 21:10, Apr 25, 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) = 1.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 573.25 (Adapted Stein & Brown method) Melting Pt (deg C): 246.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.43E-012 (Modified Grain method) Subcooled liquid VP: 3.66E-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): 407.8 log Kow used: 1.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1367.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.56E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.852E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.01 (KowWin est) Log Kaw used: -13.643 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.653 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2540 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4751 (recalcitrant) Biowin4 (Primary Survey Model) : 3.4723 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1443 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.7248 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): 4.88E-008 Pa (3.66E-010 mm Hg) Log Koa (Koawin est ): 14.653 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 61.5 Octanol/air (Koa) model: 110 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 = 181.4456 E-12 cm3/molecule-sec Half-Life = 0.059 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.707 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 : 1892 Log Koc: 3.277 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 = 0.081 (BCF = 1.206) log Kow used: 1.01 (estimated) Volatilization from Water: Henry LC: 5.56E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.11E+012 hours (8.791E+010 days) Half-Life from Model Lake : 2.302E+013 hours (9.59E+011 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 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 1.8e-005 1.41 1000 Water 47 4.32e+003 1000 Soil 52.9 8.64e+003 1000 Sediment 0.102 3.89e+004 0 Persistence Time: 1.7e+003 hr
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