Try beta.chemspider
N-(3-Sulfamoylphenyl)-8-quinolinesulfonamide
c1cc2cccnc2c(c1)S(=O)(=O)Nc3cccc(c3)S(=O)(=O)N
InChI=1S/C15H13N3O4S2/c16-23(19,20)13-7-2-6-12(10-13)18-24(21,22)14-8-1-4-11-5-3-9-17-15(11)14/h1-10,18H,(H2,16,19,20)
ZKXPZNPRPIHVSP-UHFFFAOYSA-N
CSID:3647304, http://www.chemspider.com/Chemical-Structure.3647304.html (accessed 04:05, May 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) = 1.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 563.85 (Adapted Stein & Brown method) Melting Pt (deg C): 242.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.83E-012 (Modified Grain method) Subcooled liquid VP: 6.4E-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): 526 log Kow used: 1.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 328.51 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.33E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.573E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.16 (KowWin est) Log Kaw used: -13.021 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.181 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5745 Biowin2 (Non-Linear Model) : 0.1042 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3961 (weeks-months) Biowin4 (Primary Survey Model) : 3.3234 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2868 Biowin6 (MITI Non-Linear Model): 0.0012 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1182 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): 8.53E-008 Pa (6.4E-010 mm Hg) Log Koa (Koawin est ): 14.181 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 35.2 Octanol/air (Koa) model: 37.2 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 = 11.6001 E-12 cm3/molecule-sec Half-Life = 0.922 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.065 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.096E+004 Log Koc: 4.040 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 = 0.192 (BCF = 1.558) log Kow used: 1.16 (estimated) Volatilization from Water: Henry LC: 2.33E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.79E+011 hours (1.996E+010 days) Half-Life from Model Lake : 5.226E+012 hours (2.177E+011 days) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 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 6.58e-005 22.1 1000 Water 38.6 900 1000 Soil 61.3 1.8e+003 1000 Sediment 0.0848 8.1e+003 0 Persistence Time: 1.09e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight