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:375
Name:Trimethacarb
Description:
Labels:training, Phenylcarbamates
CAS:2686-99-9
InChi Code:InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.6

experimental value

2.41

Eq1: Linear correlation with logP (Training set)

2.32

Eq2: Non-linear regression model (Training set)

2.32

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