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: | 34 | |
|---|---|---|
| Name: | Phenol, 4-chloro-3,5-dimethyl- | |
| Description: | ||
| Labels: | ||
| CAS: | 88-04-0 | |
| InChi Code: | InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3 |
Properties
pLD50: Mouse oral toxicity as log(1/LD50) [M]
| Value | Source or prediction |
|---|---|
| 1.612 |
experimental value |
| 2.034 |
QSAR: Model for acute toxicity (Training set) |