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:121
Name:Pentyl-N-phenylcarbamate
Description:Structure (mol-file) and name does not match
Labels:
CAS:63075-06-9
InChi Code:InChI=1S/C12H17NO2/c1-2-3-7-10-15-12(14)13-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,13,14)

Properties

logKoc: Logarithm of soil sorption coefficient

ValueSource or prediction
2.61

experimental value

2.48

QSAR: Model for soil sorption (Test set)