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:688
Name:Napropamide
Description:
Labels:validation, Other_compounds
CAS:15299-99-7
InChi Code:InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.76

experimental value

3.04

Eq1: Linear correlation with logP (Validation set)

2.93

Eq2: Non-linear regression model (Validation set)

2.93

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

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