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:57
Name:Benzenamine, 3,4-dichloro-
Description:
Labels:
CAS:95-76-1
InChi Code:InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2

Properties

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

ValueSource or prediction
2.473

experimental value

2.631

QSAR: Model for acute toxicity (Test set)