Try beta.chemspider
7,14-Dioxo-5,7,12,14-tetrahydroquinolino[2,3-b]acridine-2,9-dicarboxamide
c1cc2c(cc1C(=O)N)c(=O)c3cc4c(cc3[nH]2)c(=O)c5cc(ccc5[nH]4)C(=O)N
InChI=1S/C22H14N4O4/c23-21(29)9-1-3-15-11(5-9)19(27)13-8-18-14(7-17(13)25-15)20(28)12-6-10(22(24)30)2-4-16(12)26-18/h1-8H,(H2,23,29)(H2,24,30)(H,25,27)(H,26,28)
ATZRWFMBPNCDIO-UHFFFAOYSA-N
CSID:105777, http://www.chemspider.com/Chemical-Structure.105777.html (accessed 06:47, Jun 3, 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) = -1.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 735.53 (Adapted Stein & Brown method) Melting Pt (deg C): 322.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.11E-018 (Modified Grain method) Subcooled liquid VP: 1.85E-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): 110.5 log Kow used: -1.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.1655 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.47E-025 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.847E-020 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.13 (KowWin est) Log Kaw used: -23.221 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 22.091 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5243 Biowin2 (Non-Linear Model) : 0.1207 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8955 (months ) Biowin4 (Primary Survey Model) : 3.4226 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2339 Biowin6 (MITI Non-Linear Model): 0.0009 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.4025 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): 2.47E-012 Pa (1.85E-014 mm Hg) Log Koa (Koawin est ): 22.091 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.22E+006 Octanol/air (Koa) model: 3.03E+009 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 = 204.0000 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.629 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 : 371.7 Log Koc: 2.570 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 = 0.500 (BCF = 3.162) log Kow used: -1.13 (estimated) Volatilization from Water: Henry LC: 1.47E-025 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.95E+021 hours (3.312E+020 days) Half-Life from Model Lake : 8.672E+022 hours (3.613E+021 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 2.16e-010 1.26 1000 Water 49.4 1.44e+003 1000 Soil 50.5 2.88e+003 1000 Sediment 0.0961 1.3e+004 0 Persistence Time: 1.17e+003 hr
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