Try beta.chemspider
N-(4-{5-[(4-Chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-1,3-benzodioxole-5-carboxamide
Cc1cc(ccc1Cl)OCc2nc(no2)c3ccc(cc3)NC(=O)c4ccc5c(c4)OCO5
InChI=1S/C24H18ClN3O5/c1-14-10-18(7-8-19(14)25)30-12-22-27-23(28-33-22)15-2-5-17(6-3-15)26-24(29)16-4-9-20-21(11-16)32-13-31-20/h2-11H,12-13H2,1H3,(H,26,29)
MYWAZOHLPOJFGR-UHFFFAOYSA-N
CSID:1083991, http://www.chemspider.com/Chemical-Structure.1083991.html (accessed 22:03, Jul 7, 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) = 3.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 647.54 (Adapted Stein & Brown method) Melting Pt (deg C): 281.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.05E-015 (Modified Grain method) Subcooled liquid VP: 4.16E-012 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): 1.332 log Kow used: 3.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.3658 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.87E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.772E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.47 (KowWin est) Log Kaw used: -14.701 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.171 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0463 Biowin2 (Non-Linear Model) : 0.0010 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7629 (months ) Biowin4 (Primary Survey Model) : 3.2077 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2553 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8583 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): 5.55E-010 Pa (4.16E-012 mm Hg) Log Koa (Koawin est ): 18.171 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.41E+003 Octanol/air (Koa) model: 3.64E+005 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 = 241.2457 E-12 cm3/molecule-sec Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.532 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 5.185000 E-17 cm3/molecule-sec Half-Life = 0.221 Days (at 7E11 mol/cm3) Half-Life = 5.305 Hrs 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 : 1636 Log Koc: 3.214 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 = 1.970 (BCF = 93.27) log Kow used: 3.47 (estimated) Volatilization from Water: Henry LC: 4.87E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.589E+013 hours (1.079E+012 days) Half-Life from Model Lake : 2.825E+014 hours (1.177E+013 days) Removal In Wastewater Treatment: Total removal: 12.37 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.19 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 0.000101 0.886 1000 Water 9.28 1.44e+003 1000 Soil 90 2.88e+003 1000 Sediment 0.74 1.3e+004 0 Persistence Time: 2.81e+003 hr
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