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:640
Name:Iprodione
Description:
Labels:validation, Other_compounds
CAS:36734-19-7
InChi Code:InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.85

experimental value

2.52

Eq1: Linear correlation with logP (Validation set)

2.42

Eq2: Non-linear regression model (Validation set)

2.42

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

Links to External Resources