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: | 24 | |
|---|---|---|
| Name: | Phenol, 2,4-dinitro- | |
| Description: | ||
| Labels: | ||
| CAS: | 51-28-5 | |
| InChi Code: | InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H |
Properties
pLD50: Mouse oral toxicity as log(1/LD50) [M]
| Value | Source or prediction |
|---|---|
| 3.788 |
experimental value |
| 3.295 |
QSAR: Model for acute toxicity (Training set) |