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6-Bromo-2-methyl-N'-(1-naphthylmethylene)imidazo[1,2-a]pyridine-3-carbohydrazide
Cc1c(n2cc(ccc2n1)Br)C(=O)NN=Cc3cccc4c3cccc4
InChI=1S/C20H15BrN4O/c1-13-19(25-12-16(21)9-10-18(25)23-13)20(26)24-22-11-15-7-4-6-14-5-2-3-8-17(14)15/h2-12H,1H3,(H,24,26)
YDOHRYHKDCMCRJ-UHFFFAOYSA-N
CSID:900073, http://www.chemspider.com/Chemical-Structure.900073.html (accessed 11:54, May 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) = 5.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 620.80 (Adapted Stein & Brown method) Melting Pt (deg C): 269.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.39E-014 (Modified Grain method) Subcooled liquid VP: 2.11E-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): 0.008364 log Kow used: 5.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.14874 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.61E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.813E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.16 (KowWin est) Log Kaw used: -14.453 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.613 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4980 Biowin2 (Non-Linear Model) : 0.0203 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0883 (months ) Biowin4 (Primary Survey Model) : 3.0381 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2188 Biowin6 (MITI Non-Linear Model): 0.0026 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4569 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): 2.81E-009 Pa (2.11E-011 mm Hg) Log Koa (Koawin est ): 19.613 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.07E+003 Octanol/air (Koa) model: 1.01E+007 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 = 75.7780 E-12 cm3/molecule-sec Half-Life = 0.141 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.694 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 : 1.495E+005 Log Koc: 5.175 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 = 3.275 (BCF = 1883) log Kow used: 5.16 (estimated) Volatilization from Water: Henry LC: 8.61E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.372E+013 hours (5.718E+011 days) Half-Life from Model Lake : 1.497E+014 hours (6.238E+012 days) Removal In Wastewater Treatment: Total removal: 82.17 percent Total biodegradation: 0.71 percent Total sludge adsorption: 81.46 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 2.5e-005 3.39 1000 Water 5.5 1.44e+003 1000 Soil 70.8 2.88e+003 1000 Sediment 23.7 1.3e+004 0 Persistence Time: 3.71e+003 hr
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