Try beta.chemspider
2-(1,3-Benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carbohydrazide
c1cc2c(cc1c3cn4cc(ccc4n3)C(=O)NN)OCO2
InChI=1S/C15H12N4O3/c16-18-15(20)10-2-4-14-17-11(7-19(14)6-10)9-1-3-12-13(5-9)22-8-21-12/h1-7H,8,16H2,(H,18,20)
GPSPGRFDWXJLAU-UHFFFAOYSA-N
CSID:3749597, http://www.chemspider.com/Chemical-Structure.3749597.html (accessed 04:43, Apr 29, 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) = 1.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 570.46 (Adapted Stein & Brown method) Melting Pt (deg C): 245.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.75E-012 (Modified Grain method) Subcooled liquid VP: 4.32E-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): 268.9 log Kow used: 1.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1918.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.46E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.537E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.97 (KowWin est) Log Kaw used: -18.849 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.819 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8703 Biowin2 (Non-Linear Model) : 0.9644 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4282 (weeks-months) Biowin4 (Primary Survey Model) : 3.5745 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0746 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4041 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): 5.76E-008 Pa (4.32E-010 mm Hg) Log Koa (Koawin est ): 20.819 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 52.1 Octanol/air (Koa) model: 1.62E+008 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 = 64.8626 E-12 cm3/molecule-sec Half-Life = 0.165 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.979 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 : 765 Log Koc: 2.884 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 = 0.816 (BCF = 6.543) log Kow used: 1.97 (estimated) Volatilization from Water: Henry LC: 3.46E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.913E+017 hours (1.214E+016 days) Half-Life from Model Lake : 3.177E+018 hours (1.324E+017 days) Removal In Wastewater Treatment: Total removal: 2.22 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.12 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 1.14e-010 3.96 1000 Water 23.6 900 1000 Soil 76.3 1.8e+003 1000 Sediment 0.0879 8.1e+003 0 Persistence Time: 1.41e+003 hr
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