Try beta.chemspider
4-(1,1-Dioxido-3-oxo-1,2-thiazolidin-2-yl)-N-[3-(1,1-dioxido-1,2-thiazolidin-2-yl)phenyl]benzamide
c1cc(cc(c1)N2CCCS2(=O)=O)NC(=O)c3ccc(cc3)N4C(=O)CCS4(=O)=O
InChI=1S/C19H19N3O6S2/c23-18-9-12-30(27,28)22(18)16-7-5-14(6-8-16)19(24)20-15-3-1-4-17(13-15)21-10-2-11-29(21,25)26/h1,3-8,13H,2,9-12H2,(H,20,24)
OPNIZWWBYVCNKJ-UHFFFAOYSA-N
CSID:20519953, http://www.chemspider.com/Chemical-Structure.20519953.html (accessed 16:15, Jun 15, 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) = 1.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 710.42 (Adapted Stein & Brown method) Melting Pt (deg C): 310.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.44E-017 (Modified Grain method) Subcooled liquid VP: 8.78E-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): 139.7 log Kow used: 1.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.6438 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.45E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.303E-019 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.21 (KowWin est) Log Kaw used: -12.227 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.437 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7437 Biowin2 (Non-Linear Model) : 0.3356 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1516 (months ) Biowin4 (Primary Survey Model) : 3.4046 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3341 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0953 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): 1.17E-011 Pa (8.78E-014 mm Hg) Log Koa (Koawin est ): 13.437 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.56E+005 Octanol/air (Koa) model: 6.71 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 122.5990 E-12 cm3/molecule-sec Half-Life = 0.087 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.047 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 : 2794 Log Koc: 3.446 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 = 0.230 (BCF = 1.697) log Kow used: 1.21 (estimated) Volatilization from Water: Henry LC: 1.45E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.561E+010 hours (3.567E+009 days) Half-Life from Model Lake : 9.339E+011 hours (3.891E+010 days) Removal In Wastewater Treatment: Total removal: 1.91 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.82 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 0.102 2.09 1000 Water 46.1 1.44e+003 1000 Soil 53.7 2.88e+003 1000 Sediment 0.104 1.3e+004 0 Persistence Time: 861 hr
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