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:13
Name:Benzene, (1,1,2,2-tetrafluoroethoxy)-
Description:
Labels:
CAS:350-57-2
InChi Code:InChI=1S/C8H6F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-5,7H

Properties

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

ValueSource or prediction
1.589

experimental value

1.847

QSAR: Model for acute toxicity (Training set)