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:417
Name:Fenarimol
Description:
Labels:training, Aromatic_Heterocycles
CAS:60168-88-9
InChi Code:InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.78

experimental value

2.77

Eq1: Linear correlation with logP (Training set)

2.66

Eq2: Non-linear regression model (Training set)

2.66

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

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