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:28
Name:4-Chlorophenol
Description:
Labels:
CAS:106-48-9
InChi Code:InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H

Properties

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

ValueSource or prediction
2.06

Li, Y.; Deng, Y.; Chen, B. Sorption of chlorophenols onto fruit cuticles and potato periderm. Journal of Environmental Sciences 2012, 24, 675–681. http://dx.doi.org/10.1016/s1001-0742(11)60891-7

2.35

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

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