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:96
Name:3,4-Dichloronitrobenzene
Description:
Labels:training, Nitrobenzenes
CAS:99-54-7
InChi Code:InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.53

experimental value

2.77

Eq1: Linear correlation with logP (Training set)

2.66

Eq2: Non-linear regression model (Training set)

2.66

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

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