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:497
Name:Malathion
Description:
Labels:training, Organic_phosphides
CAS:121-75-5
InChi Code:InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.36

experimental value

2.29

Eq1: Linear correlation with logP (Training set)

2.22

Eq2: Non-linear regression model (Training set)

2.22

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

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