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:422
Name:Prochloraz
Description:
Labels:training, Aromatic_Heterocycles
CAS:67747-09-5
InChi Code:InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.7

experimental value

3.99

Eq1: Linear correlation with logP (Training set)

4.01

Eq2: Non-linear regression model (Training set)

4.01

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

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