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:56
Name:3-Methylphenylurea
Description:
Labels:
CAS:63-99-0
InChi Code:InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

Properties

logKoc: Logarithm of soil sorption coefficient

ValueSource or prediction
1.56

experimental value

1.58

QSAR: Model for soil sorption (Training set)