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:509
Name:Pirimiphos-methyl
Description:
Labels:training, Organic_phosphides
CAS:29232-93-7
InChi Code:InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3

experimental value

3.3

Eq1: Linear correlation with logP (Training set)

3.20

Eq2: Non-linear regression model (Training set)

3.2

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

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