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: | 19 | |
|---|---|---|
| Name: | Benzenemethanol, 3-amino-alpha-methyl-5-(trifluoromethyl)- | |
| Description: | ||
| Labels: | ||
| CAS: | 42818-60-0 | |
| InChi Code: | InChI=1S/C9H10F3NO/c1-5(14)6-2-7(9(10,11)12)4-8(13)3-6/h2-5,14H,13H2,1H3 |
Properties
pLD50: Mouse oral toxicity as log(1/LD50) [M]
| Value | Source or prediction |
|---|---|
| 2.368 |
experimental value |
| 2.647 |
QSAR: Model for acute toxicity (Training set) |