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:510
Name:Fensulfothion
Description:
Labels:training, Organic_phosphides
CAS:115-90-2
InChi Code:InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.52

experimental value

2.57

Eq1: Linear correlation with logP (Training set)

2.47

Eq2: Non-linear regression model (Training set)

2.47

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

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