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:406
Name:Nicotine
Description:
Labels:training, Aromatic_Heterocycles
CAS:54-11-5
InChi Code:InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.01

experimental value

1.16

Eq1: Linear correlation with logP (Training set)

1.42

Eq2: Non-linear regression model (Training set)

1.42

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