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:166
Name:3,5-Dichloroaniline
Description:
Labels:training, Anilines
CAS:626-43-7
InChi Code:InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.49

experimental value

2.52

Eq1: Linear correlation with logP (Training set)

2.43

Eq2: Non-linear regression model (Training set)

2.43

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

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