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:441
Name:Oxadiazon
Description:
Labels:training, Aromatic_Heterocycles
CAS:19666-30-9
InChi Code:InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.51

experimental value

3.23

Eq1: Linear correlation with logP (Training set)

3.13

Eq2: Non-linear regression model (Training set)

3.13

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

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