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: | 22 | |
|---|---|---|
| Name: | Benzeneethanamine, N-ethyl-alpha-methyl-3-(trifluoromethyl)- | |
| Description: | ||
| Labels: | ||
| CAS: | 458-24-2 | |
| InChi Code: | InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3 |
Properties
pLD50: Mouse oral toxicity as log(1/LD50) [M]
| Value | Source or prediction |
|---|---|
| 3.25 |
experimental value |
| 3.175 |
QSAR: Model for acute toxicity (Training set) |