Try beta.chemspider
11-Chloro-10H-indolo[3,2-b]quinoline
c1ccc2c(c1)c3c([nH]2)c(c4ccccc4n3)Cl
InChI=1S/C15H9ClN2/c16-13-9-5-1-3-7-11(9)17-14-10-6-2-4-8-12(10)18-15(13)14/h1-8,18H
DUMZYVAZBKDIQG-UHFFFAOYSA-N
CSID:4570418, http://www.chemspider.com/Chemical-Structure.4570418.html (accessed 20:02, May 5, 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) = 4.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 413.28 (Adapted Stein & Brown method) Melting Pt (deg C): 172.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.19E-007 (Modified Grain method) Subcooled liquid VP: 3.95E-006 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): 0.5754 log Kow used: 4.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20.979 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.47E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.877E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.09 (KowWin est) Log Kaw used: -8.848 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.938 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2111 Biowin2 (Non-Linear Model) : 0.0110 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2992 (weeks-months) Biowin4 (Primary Survey Model) : 3.2094 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1254 Biowin6 (MITI Non-Linear Model): 0.0052 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6074 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): 0.000527 Pa (3.95E-006 mm Hg) Log Koa (Koawin est ): 12.938 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0057 Octanol/air (Koa) model: 2.13 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.171 Mackay model : 0.313 Octanol/air (Koa) model: 0.994 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 157.2474 E-12 cm3/molecule-sec Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.816 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.242 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.537E+004 Log Koc: 4.549 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 = 2.446 (BCF = 279.1) log Kow used: 4.09 (estimated) Volatilization from Water: Henry LC: 3.47E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.682E+007 hours (1.118E+006 days) Half-Life from Model Lake : 2.926E+008 hours (1.219E+007 days) Removal In Wastewater Treatment: Total removal: 34.34 percent Total biodegradation: 0.35 percent Total sludge adsorption: 33.98 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 0.000314 1.63 1000 Water 10.8 900 1000 Soil 86 1.8e+003 1000 Sediment 3.16 8.1e+003 0 Persistence Time: 1.9e+003 hr
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