10967/226 - 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 acute oral toxicity of benzene derivatives - Acute Toxic Class Method. Q13-42-0029. Molcode Ltd., 2009.

Compound

ID:12
Name:Benzene, 1-chloro-2,3,4,5,6-pentafluoro-
Description:
Labels:
CAS:344-07-0
InChi Code:InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9

Properties

pLD50: Mouse oral toxicity as log(1/LD50) [M]

ValueSource or prediction
1.607

experimental value

1.353

QSAR: Model for acute toxicity (Training set)