6-Nitrobenzo[a]phenazine
[O-][N+](=O)c2cc1ccccc1c3nc4c(nc23)cccc4 CopyCopied
InChI=1S/C16H9N3O2/c20-19(21)14-9-10-5-1-2-6-11(10)15-16(14)18-13-8-4-3-7-12(13)17-15/h1-9H CopyCopied
QPMILPQYCJVEGM-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
6-nitrobenzo[a]phenazine
NSC407259 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 624.94 (Adapted Stein & Brown method) Melting Pt (deg C): 270.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.71E-017 (Modified Grain method) Subcooled liquid VP: 2.39E-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): 154.5 log Kow used: 1.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14.416 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.96E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.108E-019 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.09 (KowWin est) Log Kaw used: -18.917 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.007 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0413 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7893 (months ) Biowin4 (Primary Survey Model) : 2.7469 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0451 Biowin6 (MITI Non-Linear Model): 0.0161 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4605 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): 3.19E-012 Pa (2.39E-014 mm Hg) Log Koa (Koawin est ): 20.007 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.41E+005 Octanol/air (Koa) model: 2.49E+007 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 = 5.9863 E-12 cm3/molecule-sec Half-Life = 1.787 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 21.441 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 : 1.264E+005 Log Koc: 5.102 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 = 0.136 (BCF = 1.367) log Kow used: 1.09 (estimated) Volatilization from Water: Henry LC: 2.96E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.288E+017 hours (1.37E+016 days) Half-Life from Model Lake : 3.587E+018 hours (1.494E+017 days) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 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 2.17e-006 42.9 1000 Water 42.1 1.44e+003 1000 Soil 57.9 2.88e+003 1000 Sediment 0.0919 1.3e+004 0 Persistence Time: 1.31e+003 hr
Click to predict properties on the Chemicalize site