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:413
Name:Fluridone
Description:
Labels:training, Aromatic_Heterocycles
CAS:59756-60-4
InChi Code:InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.85

experimental value

2.73

Eq1: Linear correlation with logP (Training set)

2.62

Eq2: Non-linear regression model (Training set)

2.62

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

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