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:87
Name:1,3,5-Trichlorobenzene
Description:
Labels:training, Halogenated_benzenes
CAS:108-70-3
InChi Code:InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.9

experimental value

3.28

Eq1: Linear correlation with logP (Training set)

3.18

Eq2: Non-linear regression model (Training set)

3.18

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

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