Moosus, M.; Maran, U. Quantitative structure-activity relationship analysis of acute toxicity of diverse chemicals to Daphnia magna with whole molecule descriptors. SAR QSAR Environ. Res. 2011, 22, 7-8, 757–774.
Compound
| ID: | 30 | |
|---|---|---|
| Name: | Isophorone | |
| Description: | ||
| Labels: | Training | |
| 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) [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -3.061 |
experimental value |
| -3.2153 |
Tab2: Model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8020759 | US EPA CompTox Dashboard |