Try beta.chemspider
2-Hydroxy-N'-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxo-3,7-dihydro-2H-chromen-4-yl]benzohydrazide
c1ccc(c(c1)C(=O)NNC2=C3C(=CC(=O)C=C3OC(C2)c4ccc(cc4)O)O)O
InChI=1S/C22H18N2O6/c25-13-7-5-12(6-8-13)19-11-16(21-18(28)9-14(26)10-20(21)30-19)23-24-22(29)15-3-1-2-4-17(15)27/h1-10,19,23,25,27-28H,11H2,(H,24,29)
QIIXXUHWZSFZSW-UHFFFAOYSA-N
CSID:17263110, http://www.chemspider.com/Chemical-Structure.17263110.html (accessed 22:40, Apr 26, 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) = 1.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 685.90 (Adapted Stein & Brown method) Melting Pt (deg C): 299.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.32E-019 (Modified Grain method) Subcooled liquid VP: 2.68E-016 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): 867.7 log Kow used: 1.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.8178e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Phenols Vinyl/Allyl Ketones Vinyl/Allyl Ethers Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.03E-025 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.430E-022 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.27 (KowWin est) Log Kaw used: -23.376 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 24.646 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6039 Biowin2 (Non-Linear Model) : 0.0239 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5427 (weeks-months) Biowin4 (Primary Survey Model) : 3.4383 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3730 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5163 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): 3.57E-014 Pa (2.68E-016 mm Hg) Log Koa (Koawin est ): 24.646 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.4E+007 Octanol/air (Koa) model: 1.09E+012 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 = 237.1775 E-12 cm3/molecule-sec Half-Life = 0.045 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.541 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 26.499998 E-17 cm3/molecule-sec Half-Life = 0.043 Days (at 7E11 mol/cm3) Half-Life = 1.038 Hrs Reaction With Nitrate Radicals May Be Important! 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 : 860.1 Log Koc: 2.935 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 = 0.281 (BCF = 1.91) log Kow used: 1.27 (estimated) Volatilization from Water: Henry LC: 1.03E-025 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.146E+022 hours (4.775E+020 days) Half-Life from Model Lake : 1.25E+023 hours (5.209E+021 days) Removal In Wastewater Treatment: Total removal: 1.92 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.83 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 9.44e-009 0.53 1000 Water 37 900 1000 Soil 62.9 1.8e+003 1000 Sediment 0.0842 8.1e+003 0 Persistence Time: 1.12e+003 hr
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