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N-Phenyldipyrido[2,3-a:3',2'-c]phenazine-11-carboxamide
c1ccc(cc1)NC(=O)c2ccc3c(c2)nc4c5c(cccn5)c6cccnc6c4n3
InChI=1S/C25H15N5O/c31-25(28-16-6-2-1-3-7-16)15-10-11-19-20(14-15)30-24-22-18(9-5-13-27-22)17-8-4-12-26-21(17)23(24)29-19/h1-14H,(H,28,31)
PBCWBMBTXHDLDZ-UHFFFAOYSA-N
CSID:4378692, http://www.chemspider.com/Chemical-Structure.4378692.html (accessed 13:10, Apr 28, 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) = 3.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 683.83 (Adapted Stein & Brown method) Melting Pt (deg C): 298.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.03E-016 (Modified Grain method) Subcooled liquid VP: 4.52E-013 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): 0.3552 log Kow used: 3.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.014355 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.03E-022 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.993E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.30 (KowWin est) Log Kaw used: -20.376 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 23.676 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2374 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4805 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7767 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2404 Biowin6 (MITI Non-Linear Model): 0.0015 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8496 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): 6.03E-011 Pa (4.52E-013 mm Hg) Log Koa (Koawin est ): 23.676 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.98E+004 Octanol/air (Koa) model: 1.16E+011 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 = 57.9992 E-12 cm3/molecule-sec Half-Life = 0.184 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.213 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 : 6.366E+005 Log Koc: 5.804 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 = 1.840 (BCF = 69.13) log Kow used: 3.30 (estimated) Volatilization from Water: Henry LC: 1.03E-022 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.139E+019 hours (4.745E+017 days) Half-Life from Model Lake : 1.242E+020 hours (5.177E+018 days) Removal In Wastewater Treatment: Total removal: 9.22 percent Total biodegradation: 0.15 percent Total sludge adsorption: 9.07 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 8.56e-010 4.43 1000 Water 5.38 4.32e+003 1000 Soil 94.3 8.64e+003 1000 Sediment 0.336 3.89e+004 0 Persistence Time: 7.23e+003 hr
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