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:63
Name:N-Phenyl-N'-cyclopentylurea
Description:
Labels:
CAS:13140-89-1
InChi Code:InChI=1S/C12H16N2O/c15-12(14-11-8-4-5-9-11)13-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,13,14,15)

Properties

logKoc: Logarithm of soil sorption coefficient

ValueSource or prediction
1.93

experimental value

2.01

QSAR: Model for soil sorption (Training set)