Try beta.chemspider
2-(2,4-Dimethoxyphenyl)-N-(4-isopropylphenyl)-4-quinolinecarboxamide
CC(C)c1ccc(cc1)NC(=O)c2cc(nc3c2cccc3)c4ccc(cc4OC)OC
InChI=1S/C27H26N2O3/c1-17(2)18-9-11-19(12-10-18)28-27(30)23-16-25(29-24-8-6-5-7-21(23)24)22-14-13-20(31-3)15-26(22)32-4/h5-17H,1-4H3,(H,28,30)
RMFCIMPBBSVMTB-UHFFFAOYSA-N
CSID:1028377, http://www.chemspider.com/Chemical-Structure.1028377.html (accessed 15:37, 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) = 6.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 628.18 (Adapted Stein & Brown method) Melting Pt (deg C): 272.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.54E-014 (Modified Grain method) Subcooled liquid VP: 1.35E-011 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): 0.009985 log Kow used: 6.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0094916 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.16E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.428E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.23 (KowWin est) Log Kaw used: -14.477 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.707 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0731 Biowin2 (Non-Linear Model) : 0.9911 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0113 (months ) Biowin4 (Primary Survey Model) : 3.5235 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0508 Biowin6 (MITI Non-Linear Model): 0.0113 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9206 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): 1.8E-009 Pa (1.35E-011 mm Hg) Log Koa (Koawin est ): 20.707 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.67E+003 Octanol/air (Koa) model: 1.25E+008 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 = 196.3119 E-12 cm3/molecule-sec Half-Life = 0.054 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.654 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 : 3.971E+005 Log Koc: 5.599 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 = 4.098 (BCF = 1.253e+004) log Kow used: 6.23 (estimated) Volatilization from Water: Henry LC: 8.16E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.482E+013 hours (6.174E+011 days) Half-Life from Model Lake : 1.617E+014 hours (6.736E+012 days) Removal In Wastewater Treatment: Total removal: 92.92 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.15 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 2.53e-005 1.31 1000 Water 1.94 1.44e+003 1000 Soil 47.3 2.88e+003 1000 Sediment 50.8 1.3e+004 0 Persistence Time: 5.56e+003 hr
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