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:288
Name:Butyranilide
Description:
Labels:training, Acetanilides
CAS:1129-50-6
InChi Code:InChI=1S/C10H13NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.71

experimental value

2.02

Eq1: Linear correlation with logP (Training set)

2.00

Eq2: Non-linear regression model (Training set)

2

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

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