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:507
Name:Fensulfothion sulfide
Description:
Labels:training, Organic_phosphides
CAS:3070-15-3
InChi Code:InChI=1S/C11H17O3PS2/c1-4-12-15(16,13-5-2)14-10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.18

experimental value

3.64

Eq1: Linear correlation with logP (Training set)

3.58

Eq2: Non-linear regression model (Training set)

3.58

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

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