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:571
Name:Carboxin
Description:
Labels:training, Organic_sulfides
CAS:5234-68-4
InChi Code:InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.41

experimental value

1.84

Eq1: Linear correlation with logP (Training set)

1.87

Eq2: Non-linear regression model (Training set)

1.87

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

Links to External Resources