10967/159 - QDB Compounds

QsarDB Repository

Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.

Compound

ID:144
Name:2,4,6-Trichlorophenol
Description:
Labels:training, Phenols
CAS:88-06-2
InChi Code:InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.03

experimental value

3.15

Eq1: Linear correlation with logP (Training set)

3.04

Eq2: Non-linear regression model (Training set)

3.04

Eq3: Non-linear regression model with correction factors (Training set)

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