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:657
Name:4,4Bis(dimethylamino)benzophenone
Description:
Labels:validation, Other_compounds
CAS:90-94-8
InChi Code:InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.21

experimental value

3.07

Eq1: Linear correlation with logP (Validation set)

2.96

Eq2: Non-linear regression model (Validation set)

2.96

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