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: | 49 | |
|---|---|---|
| Name: | Benzene, 1-nitro-3-(trifluoromethyl)- | |
| Description: | ||
| Labels: | ||
| CAS: | 98-46-4 | |
| InChi Code: | InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H |
Properties
pLD50: Mouse oral toxicity as log(1/LD50) [M]
| Value | Source or prediction |
|---|---|
| 2.496 |
experimental value |
| 2.119 |
QSAR: Model for acute toxicity (Training set) |