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:517
Name:Chlorpyrifos
Description:
Labels:training, Organic_phosphides
CAS:2921-88-2
InChi Code:InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.7

experimental value

4.07

Eq1: Linear correlation with logP (Training set)

4.10

Eq2: Non-linear regression model (Training set)

4.1

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

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