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:532
Name:Crotoxyphos(trans)
Description:
Labels:training, Organic_phosphides
CAS:7700-17-6
InChi Code:InChI=1S/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3/b11-10+

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2

experimental value

2.86

Eq1: Linear correlation with logP (Training set)

2.74

Eq2: Non-linear regression model (Training set)

2.74

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