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:15
Name:1,3-Benzenediamine, 5-(trifluoromethyl)-
Description:
Labels:
CAS:368-53-6
InChi Code:InChI=1S/C7H7F3N2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h1-3H,11-12H2

Properties

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

ValueSource or prediction
2.666

experimental value

2.16

QSAR: Model for acute toxicity (Training set)