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:500
Name:Phosalone
Description:
Labels:training, Organic_phosphides
CAS:2310-17-0
InChi Code:InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.63

experimental value

2.89

Eq1: Linear correlation with logP (Training set)

2.78

Eq2: Non-linear regression model (Training set)

2.78

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

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