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:298
Name:3,4-Dichloroacetanilide
Description:
Labels:training, Acetanilides
CAS:2150-93-8
InChi Code:InChI=1S/C8H7Cl2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,1H3,(H,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.34

experimental value

2.49

Eq1: Linear correlation with logP (Training set)

2.39

Eq2: Non-linear regression model (Training set)

2.39

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

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