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:208
Name:Metizolin
Description:
Labels:training, Organic_acids
CAS:3813-05-6
InChi Code:InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.52

experimental value

1.9

Eq1: Linear correlation with logP (Training set)

1.91

Eq2: Non-linear regression model (Training set)

1.51

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