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:61
Name:3-Methyl-4-bromophenylurea
Description:
Labels:
CAS:78508-46-0
InChi Code:InChI=1S/C8H9BrN2O/c1-5-4-6(11-8(10)12)2-3-7(5)9/h2-4H,1H3,(H3,10,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient

ValueSource or prediction
2.37

experimental value

1.96

QSAR: Model for soil sorption (Training set)