Try beta.chemspider
N'-{3-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]benzoyl}-2,6-dimethoxybenzohydrazide
COc1cccc(c1C(=O)NNC(=O)c2cccc(c2)COc3ccc4c(c3)CCC4)OC
InChI=1S/C26H26N2O5/c1-31-22-10-5-11-23(32-2)24(22)26(30)28-27-25(29)20-9-3-6-17(14-20)16-33-21-13-12-18-7-4-8-19(18)15-21/h3,5-6,9-15H,4,7-8,16H2,1-2H3,(H,27,29)(H,28,30)
IBLBYMOMDRCDFN-UHFFFAOYSA-N
CSID:864553, http://www.chemspider.com/Chemical-Structure.864553.html (accessed 18:48, May 10, 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) = 3.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 677.17 (Adapted Stein & Brown method) Melting Pt (deg C): 295.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.63E-016 (Modified Grain method) Subcooled liquid VP: 6.8E-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): 0.9344 log Kow used: 3.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.9381 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.24E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.169E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.78 (KowWin est) Log Kaw used: -12.878 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.658 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4514 Biowin2 (Non-Linear Model) : 0.0941 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0875 (months ) Biowin4 (Primary Survey Model) : 3.3480 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5169 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4802 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): 9.07E-011 Pa (6.8E-013 mm Hg) Log Koa (Koawin est ): 16.658 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.31E+004 Octanol/air (Koa) model: 1.12E+004 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 = 478.6639 E-12 cm3/molecule-sec Half-Life = 0.022 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 16.089 Min Ozone Reaction: OVERALL Ozone Rate Constant = 11.443750 E-17 cm3/molecule-sec Half-Life = 0.100 Days (at 7E11 mol/cm3) Half-Life = 2.403 Hrs 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 : 1.018E+004 Log Koc: 4.008 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 = 2.208 (BCF = 161.3) log Kow used: 3.78 (estimated) Volatilization from Water: Henry LC: 3.24E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.818E+011 hours (1.591E+010 days) Half-Life from Model Lake : 4.166E+012 hours (1.736E+011 days) Removal In Wastewater Treatment: Total removal: 21.12 percent Total biodegradation: 0.25 percent Total sludge adsorption: 20.87 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 0.00972 0.438 1000 Water 12.7 1.44e+003 1000 Soil 85.1 2.88e+003 1000 Sediment 2.21 1.3e+004 0 Persistence Time: 1.82e+003 hr
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