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:98
Name:2,3,5,6-Tetrachloronitrobenzene
Description:
Labels:training, Nitrobenzenes
CAS:117-18-0
InChi Code:InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.05

experimental value

3.14

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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