10967/225 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for rat chronic LOAEL. Q13-414-0035. Molcode Ltd., 2010.

Compound

ID:16
Name:2-(2-Methyl-4-chlorophenoxy) propionic acid
Description:
Labels:
CAS:93-65-2
InChi Code:InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)

Properties

LOAEL: Rat chronic LOAEL [log(umol/kg)]

ValueSource or prediction
2.08

experimental value

2.93

QSAR: Model for chronic toxicity (Training set)