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:513
Name:Methylchlorpyrifos
Description:
Labels:training, Organic_phosphides
CAS:5598-13-0
InChi Code:InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.52

experimental value

3.42

Eq1: Linear correlation with logP (Training set)

3.33

Eq2: Non-linear regression model (Training set)

3.33

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

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