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:502
Name:Bensulide
Description:
Labels:training, Organic_phosphides
CAS:741-58-2
InChi Code:InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.5

experimental value

3.64

Eq1: Linear correlation with logP (Training set)

3.59

Eq2: Non-linear regression model (Training set)

3.59

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

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