Try beta.chemspider
2-(4-Chlorophenyl)-N-(2-methoxyphenyl)-6,8-dimethyl-4-quinolinecarboxamide
Cc1cc(c2c(c1)c(cc(n2)c3ccc(cc3)Cl)C(=O)Nc4ccccc4OC)C
InChI=1S/C25H21ClN2O2/c1-15-12-16(2)24-19(13-15)20(14-22(27-24)17-8-10-18(26)11-9-17)25(29)28-21-6-4-5-7-23(21)30-3/h4-14H,1-3H3,(H,28,29)
AHHYDNXNEWGWQT-UHFFFAOYSA-N
CSID:1377831, http://www.chemspider.com/Chemical-Structure.1377831.html (accessed 23:46, Jul 5, 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) = 5.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 618.61 (Adapted Stein & Brown method) Melting Pt (deg C): 268.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.16E-014 (Modified Grain method) Subcooled liquid VP: 2.4E-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): 0.02333 log Kow used: 5.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00846 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.40E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.213E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.87 (KowWin est) Log Kaw used: -13.582 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.452 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8180 Biowin2 (Non-Linear Model) : 0.7626 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8092 (months ) Biowin4 (Primary Survey Model) : 3.2264 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0264 Biowin6 (MITI Non-Linear Model): 0.0038 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8289 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): 3.2E-009 Pa (2.4E-011 mm Hg) Log Koa (Koawin est ): 19.452 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 937 Octanol/air (Koa) model: 6.95E+006 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 = 33.9954 E-12 cm3/molecule-sec Half-Life = 0.315 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.776 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 : 4.899E+005 Log Koc: 5.690 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 = 3.820 (BCF = 6607) log Kow used: 5.87 (estimated) Volatilization from Water: Henry LC: 6.4E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.868E+012 hours (7.783E+010 days) Half-Life from Model Lake : 2.038E+013 hours (8.49E+011 days) Removal In Wastewater Treatment: Total removal: 91.51 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.75 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 0.00012 7.55 1000 Water 2.74 1.44e+003 1000 Soil 52.6 2.88e+003 1000 Sediment 44.7 1.3e+004 0 Persistence Time: 5e+003 hr
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