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: | 32 | |
|---|---|---|
| Name: | Benzeneacetic acid, 2,3,6-trichloro- | |
| Description: | ||
| Labels: | ||
| CAS: | 85-34-7 | |
| InChi Code: | InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13) |
Properties
pLD50: Mouse oral toxicity as log(1/LD50) [M]
| Value | Source or prediction |
|---|---|
| 2.129 |
experimental value |
| 1.988 |
QSAR: Model for acute toxicity (Training set) |