N'-[(4-Chlorophenyl)sulfonyl]-4-hydroxy-2-oxo-1-propyl-1,2-dihydro-3-quinolinecarbohydrazide
CCCn1c2ccccc2c(c(c1=O)C(=O)NNS(=O)(=O)c3ccc(cc3)Cl)O
InChI=1S/C19H18ClN3O5S/c1-2-11-23-15-6-4-3-5-14(15)17(24)16(19(23)26)18(25)21-22-29(27,28)13-9-7-12(20)8-10-13/h3-10,22,24H,2,11H2,1H3,(H,21,25)
DNUWZBXKTSBDPU-UHFFFAOYSA-N
CSID:17748508, http://www.chemspider.com/Chemical-Structure.17748508.html (accessed 05:06, Apr 20, 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) = 2.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 700.16 (Adapted Stein & Brown method) Melting Pt (deg C): 306.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.62E-020 (Modified Grain method) Subcooled liquid VP: 9.28E-017 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): 33.35 log Kow used: 2.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 949.96 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.98E-019 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.138E-021 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.04 (KowWin est) Log Kaw used: -16.789 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.829 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7265 Biowin2 (Non-Linear Model) : 0.1998 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1351 (months ) Biowin4 (Primary Survey Model) : 3.3884 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4987 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7923 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): 1.24E-014 Pa (9.28E-017 mm Hg) Log Koa (Koawin est ): 18.829 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.42E+008 Octanol/air (Koa) model: 1.66E+006 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 = 37.1080 E-12 cm3/molecule-sec Half-Life = 0.288 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.459 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 25.199999 E-17 cm3/molecule-sec Half-Life = 0.045 Days (at 7E11 mol/cm3) Half-Life = 1.091 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 : 488.5 Log Koc: 2.689 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 = 0.868 (BCF = 7.38) log Kow used: 2.04 (estimated) Volatilization from Water: Henry LC: 3.98E-019 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.071E+015 hours (1.28E+014 days) Half-Life from Model Lake : 3.35E+016 hours (1.396E+015 days) Removal In Wastewater Treatment: Total removal: 2.28 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.19 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 0.0236 0.943 1000 Water 26.2 1.44e+003 1000 Soil 73.7 2.88e+003 1000 Sediment 0.109 1.3e+004 0 Persistence Time: 1.35e+003 hr
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