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:407
Name:Clopidol
Description:
Labels:training, Aromatic_Heterocycles
CAS:2971-90-6
InChi Code:InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.8

experimental value

2.13

Eq1: Linear correlation with logP (Training set)

2.09

Eq2: Non-linear regression model (Training set)

2.09

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

Links to External Resources