Try beta.chemspider
N-(4-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}phenyl)-2-furamide
c1ccc2c(c1)C(=O)N(C2=O)CC(=O)Nc3ccc(cc3)NC(=O)c4ccco4
InChI=1S/C21H15N3O5/c25-18(12-24-20(27)15-4-1-2-5-16(15)21(24)28)22-13-7-9-14(10-8-13)23-19(26)17-6-3-11-29-17/h1-11H,12H2,(H,22,25)(H,23,26)
VTCGPGCUDXXILW-UHFFFAOYSA-N
CSID:884188, http://www.chemspider.com/Chemical-Structure.884188.html (accessed 01:46, Jul 6, 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) = 1.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 735.69 (Adapted Stein & Brown method) Melting Pt (deg C): 322.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.02E-018 (Modified Grain method) Subcooled liquid VP: 1.83E-014 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): 151.7 log Kow used: 1.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.3269 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.49E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.709E-020 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.61 (KowWin est) Log Kaw used: -18.460 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.070 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9825 Biowin2 (Non-Linear Model) : 0.9459 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2303 (months ) Biowin4 (Primary Survey Model) : 3.6968 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0532 Biowin6 (MITI Non-Linear Model): 0.0055 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3234 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): 2.44E-012 Pa (1.83E-014 mm Hg) Log Koa (Koawin est ): 20.070 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.23E+006 Octanol/air (Koa) model: 2.88E+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 = 62.0360 E-12 cm3/molecule-sec Half-Life = 0.172 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.069 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! 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 : 9295 Log Koc: 3.968 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 = 0.536 (BCF = 3.435) log Kow used: 1.61 (estimated) Volatilization from Water: Henry LC: 8.49E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.361E+017 hours (5.67E+015 days) Half-Life from Model Lake : 1.484E+018 hours (6.185E+016 days) Removal In Wastewater Treatment: Total removal: 2.01 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.92 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 9.45e-006 4.14 1000 Water 32.1 1.44e+003 1000 Soil 67.8 2.88e+003 1000 Sediment 0.0884 1.3e+004 0 Persistence Time: 1.56e+003 hr
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