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:487
Name:Phorate
Description:
Labels:training, Organic_phosphides
CAS:298-02-2
InChi Code:InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.7

experimental value

3.17

Eq1: Linear correlation with logP (Training set)

3.06

Eq2: Non-linear regression model (Training set)

3.06

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

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