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:516
Name:Isofenphos
Description:
Labels:training, Organic_phosphides
CAS:25311-71-1
InChi Code:InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.78

experimental value

3.32

Eq1: Linear correlation with logP (Training set)

3.22

Eq2: Non-linear regression model (Training set)

3.22

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

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