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2-[6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CCCN(CCC)C(=O)Cc1c(nc2n1cc(cc2)Cl)c3ccc(cc3)Cl
InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
JRTIDHTUMYMPRU-UHFFFAOYSA-N
CSID:49570, http://www.chemspider.com/Chemical-Structure.49570.html (accessed 20:29, Apr 26, 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) = 6.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 571.39 (Adapted Stein & Brown method) Melting Pt (deg C): 245.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.64E-012 (Modified Grain method) Subcooled liquid VP: 4.09E-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): 0.0213 log Kow used: 6.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.016224 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.39E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.096E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.01 (KowWin est) Log Kaw used: -13.010 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.020 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4550 Biowin2 (Non-Linear Model) : 0.0294 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7634 (months ) Biowin4 (Primary Survey Model) : 3.0706 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1515 Biowin6 (MITI Non-Linear Model): 0.0020 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3813 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): 5.45E-008 Pa (4.09E-010 mm Hg) Log Koa (Koawin est ): 19.020 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 55 Octanol/air (Koa) model: 2.57E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.2234 E-12 cm3/molecule-sec Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.367 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 : 3.359E+005 Log Koc: 5.526 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 = 3.926 (BCF = 8435) log Kow used: 6.01 (estimated) Volatilization from Water: Henry LC: 2.39E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.926E+011 hours (2.052E+010 days) Half-Life from Model Lake : 5.374E+012 hours (2.239E+011 days) Removal In Wastewater Treatment: Total removal: 92.20 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.43 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 2.23e-005 4.74 1000 Water 2.37 1.44e+003 1000 Soil 50.2 2.88e+003 1000 Sediment 47.5 1.3e+004 0 Persistence Time: 5.24e+003 hr
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