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:57
Name:3-Trifluoromethylphenylurea
Description:
Labels:
CAS:13114-87-9
InChi Code:InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)

Properties

logKoc: Logarithm of soil sorption coefficient

ValueSource or prediction
1.98

experimental value

2.06

QSAR: Model for soil sorption (Training set)