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: | 18 | |
|---|---|---|
| Name: | Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)- | |
| Description: | ||
| Labels: | ||
| CAS: | 393-75-9 | |
| InChi Code: | InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H |
Properties
pLD50: Mouse oral toxicity as log(1/LD50) [M]
| Value | Source or prediction |
|---|---|
| 2.464 |
experimental value |
| 2.914 |
QSAR: Model for acute toxicity (Training set) |