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:301
Name:n-9h-Fluoren-2-yl-acetamide
Description:
Labels:training, Acetanilides
CAS:53-96-3
InChi Code:InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.14

experimental value

2.71

Eq1: Linear correlation with logP (Training set)

2.60

Eq2: Non-linear regression model (Training set)

2.6

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