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:572
Name:Folpet
Description:
Labels:training, Organic_sulfides
CAS:133-07-3
InChi Code:InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.27

experimental value

3.12

Eq1: Linear correlation with logP (Training set)

3.01

Eq2: Non-linear regression model (Training set)

3.01

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

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