Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for rat chronic LOAEL. Q13-414-0035. Molcode Ltd., 2010.
Compound
| ID: | 67 | |
|---|---|---|
| Name: | Isophorone | |
| Description: | ||
| Labels: | ||
| CAS: | 78-59-1 | |
| InChi Code: | InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 |
Properties
LOAEL: Rat chronic LOAEL [log(umol/kg)]
| Value | Source or prediction |
|---|---|
| 3.11 |
experimental value |
| 3.04 |
QSAR: Model for chronic toxicity (Training set) |