10967/192 - QDB Compounds

QsarDB Repository

Kim, S.-J.; Lee, H.; Kwon, J.-H. Measurement of partition coefficients for selected polycyclic aromatic hydrocarbons between isolated plant cuticles and water. Sci. Total Environ. 2014, 494-495, 113–118.

Compound

ID:44
Name:Pyrene
Description:
Labels:
CAS:129-00-0
InChi Code:InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H

Properties

logKcutw: Plant cuticles/water partition coefficient as logKcutw [L/kg(cut)]

ValueSource or prediction
4.61

Li, Y.; Chen, B.; Zhu, L. Single-solute and bi-solute sorption of phenanthrene and pyrene onto pine needle cuticular fractions. Environmental Pollution 2010, 158, 2478–2484. http://dx.doi.org/10.1016/j.envpol.2010.03.021

5.19

Eg.6: Model for nonionic organic chemicals (Training set)

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