10967/228 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Dobchev, D.; Martin, D.; Karelson, G.; Jänes, J.; Tämm, K.; Härk, E.; Savchenko, D.; Kreegipuu, A.; Karelson, M. QSAR for the soil adsorption coefficient Koc. Q13-26-0009. 2009.

Compound

ID:146
Name:N-(3,5-DiMethyl-4-Bromo-phenyl)-N',N'-dimethylurea
Description:
Labels:
CAS:78508-43-7
InChi Code:InChI=1S/C11H15BrN2O/c1-7-5-9(6-8(2)10(7)12)13-11(15)14(3)4/h5-6H,1-4H3,(H,13,15)

Properties

logKoc: Logarithm of soil sorption coefficient

ValueSource or prediction
2.53

experimental value

2.38

QSAR: Model for soil sorption (Test set)