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:496
Name:Sulprofos
Description:
Labels:training, Organic_phosphides
CAS:35400-43-2
InChi Code:InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.08

experimental value

3.73

Eq1: Linear correlation with logP (Training set)

3.70

Eq2: Non-linear regression model (Training set)

3.7

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

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