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:437
Name:Etridiazole
Description:
Labels:training, Aromatic_Heterocycles
CAS:2593-15-9
InChi Code:InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3

experimental value

2.85

Eq1: Linear correlation with logP (Training set)

2.73

Eq2: Non-linear regression model (Training set)

2.73

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

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