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:504
Name:Fenitrothion
Description:
Labels:training, Organic_phosphides
CAS:122-14-5
InChi Code:InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.63

experimental value

2.84

Eq1: Linear correlation with logP (Training set)

2.73

Eq2: Non-linear regression model (Training set)

2.73

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

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