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: | 5 | |
|---|---|---|
| Name: | Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)- | |
| Description: | ||
| Labels: | ||
| CAS: | 1582-09-8 | |
| InChi Code: | InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3 |
Properties
pLD50: Mouse oral toxicity as log(1/LD50) [M]
| Value | Source or prediction |
|---|---|
| 2.24 |
experimental value |
| 2.041 |
QSAR: Model for acute toxicity (Training set) |