Try beta.chemspider
N-(Cyclohexylmethyl)-3-(1-naphthoylamino)-2-pyrazinecarboxamide
C1CCC(CC1)CNC(=O)C2=NC=CN=C2NC(=O)C3=CC=CC4=CC=CC=C43
InChI=1S/C23H24N4O2/c28-22(19-12-6-10-17-9-4-5-11-18(17)19)27-21-20(24-13-14-25-21)23(29)26-15-16-7-2-1-3-8-16/h4-6,9-14,16H,1-3,7-8,15H2,(H,26,29)(H,25,27,28)
NFKFHKPFGGDEGL-UHFFFAOYSA-N
CSID:9871472, http://www.chemspider.com/Chemical-Structure.9871472.html (accessed 09:07, Jun 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) = 5.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 654.49 (Adapted Stein & Brown method) Melting Pt (deg C): 284.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.61E-015 (Modified Grain method) Subcooled liquid VP: 2.72E-012 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): 0.02765 log Kow used: 5.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.906 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.23E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.674E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.99 (KowWin est) Log Kaw used: -14.040 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.030 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9829 Biowin2 (Non-Linear Model) : 0.9466 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2323 (months ) Biowin4 (Primary Survey Model) : 3.6981 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0441 Biowin6 (MITI Non-Linear Model): 0.0127 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6932 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): 3.63E-010 Pa (2.72E-012 mm Hg) Log Koa (Koawin est ): 20.030 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.27E+003 Octanol/air (Koa) model: 2.63E+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 = 41.9110 E-12 cm3/molecule-sec Half-Life = 0.255 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.062 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 : 8286 Log Koc: 3.918 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 = 3.912 (BCF = 8173) log Kow used: 5.99 (estimated) Volatilization from Water: Henry LC: 2.23E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.175E+012 hours (2.156E+011 days) Half-Life from Model Lake : 5.645E+013 hours (2.352E+012 days) Removal In Wastewater Treatment: Total removal: 92.11 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.34 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 0.00039 6.12 1000 Water 2.42 1.44e+003 1000 Soil 50.4 2.88e+003 1000 Sediment 47.2 1.3e+004 0 Persistence Time: 5.2e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight