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:491
Name:Phosmet
Description:
Labels:training, Organic_phosphides
CAS:732-11-6
InChi Code:InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.91

experimental value

1.81

Eq1: Linear correlation with logP (Training set)

1.84

Eq2: Non-linear regression model (Training set)

1.84

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

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