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:78
Name:Trichlorophenoxyacetic acid
Description:
Labels:
CAS:93-76-5
InChi Code:InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)

Properties

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

ValueSource or prediction
1.59

experimental value

2.33

QSAR: Model for chronic toxicity (Test set)