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:693
Name:Fluorochloridone
Description:
Labels:validation, Other_compounds
CAS:61213-25-0
InChi Code:InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.6

experimental value

3.21

Eq1: Linear correlation with logP (Validation set)

3.11

Eq2: Non-linear regression model (Validation set)

3.11

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

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