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:542
Name:Fenamiphos sulfone
Description:
Labels:training, Organic_phosphides
CAS:31972-44-8
InChi Code:InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.64

experimental value

1.91

Eq1: Linear correlation with logP (Training set)

1.92

Eq2: Non-linear regression model (Training set)

1.92

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

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