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:619
Name:Chlorothalonil
Description:
Labels:validation, Other_compounds
CAS:1897-45-6
InChi Code:InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.26

experimental value

2.67

Eq1: Linear correlation with logP (Validation set)

2.56

Eq2: Non-linear regression model (Validation set)

2.56

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

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