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:515
Name:Fensulfothion sulfone
Description:
Labels:training, Organic_phosphides
CAS:14255-72-2
InChi Code:InChI=1S/C11H17O5PS2/c1-4-14-17(18,15-5-2)16-10-6-8-11(9-7-10)19(3,12)13/h6-9H,4-5H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.17

experimental value

2.45

Eq1: Linear correlation with logP (Training set)

2.36

Eq2: Non-linear regression model (Training set)

2.36

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

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