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 toxicity to Daphnia magna. Q13-31-0060. 2010.
Compound
| ID: | 166 | |
|---|---|---|
| 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
logLC50: 48-h Daphnia toxicity as log(LC50) [mol/L]
| Value | Source or prediction |
|---|---|
| -3.06 |
experimental value |
| -3.87 |
QSAR: Model for Daphnia toxicity (Tarining set) |