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:122
Name:Methyl-N-(3-chlorophenyl)carbamate
Description:Structure (mol-file) and name does not match
Labels:
CAS:2150-88-1
InChi Code:InChI=1S/C8H8ClNO2/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)

Properties

logKoc: Logarithm of soil sorption coefficient

ValueSource or prediction
2.15

experimental value

2.27

QSAR: Model for soil sorption (Test set)