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: | 2 | |
|---|---|---|
| Name: | Benzene, 1-(chloromethyl)-4-nitro- | |
| Description: | ||
| Labels: | ||
| CAS: | 100-14-1 | |
| InChi Code: | InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2 |
Properties
pLD50: Mouse oral toxicity as log(1/LD50) [M]
| Value | Source or prediction |
|---|---|
| 1.977 |
experimental value |
| 2.25 |
QSAR: Model for acute toxicity (Training set) |