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: | 27 | |
|---|---|---|
| Name: | 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)- | |
| Description: | ||
| Labels: | ||
| CAS: | 61988-37-2 | |
| InChi Code: | InChI=1S/C8H8F4N2O/c9-7(10)8(11,12)15-6-2-1-4(13)3-5(6)14/h1-3,7H,13-14H2 |
Properties
pLD50: Mouse oral toxicity as log(1/LD50) [M]
| Value | Source or prediction |
|---|---|
| 2.321 |
experimental value |
| 2.2 |
QSAR: Model for acute toxicity (Training set) |