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:65
Name:N-Phenyl-N'-cycloheptylurea
Description:
Labels:
CAS:19095-79-5
InChi Code:InChI=1S/C14H20N2O/c17-14(16-13-10-6-3-7-11-13)15-12-8-4-1-2-5-9-12/h3,6-7,10-12H,1-2,4-5,8-9H2,(H2,15,16,17)

Properties

logKoc: Logarithm of soil sorption coefficient

ValueSource or prediction
2.37

experimental value

2.16

QSAR: Model for soil sorption (Training set)