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:120
Name:Butyl-N-phenylcarbamate
Description:
Labels:
CAS:1538-74-5
InChi Code:InChI=1S/C11H15NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient

ValueSource or prediction
2.26

experimental value

1.91

QSAR: Model for soil sorption (Test set)