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: | 10 | |
|---|---|---|
| Name: | Pyrimidinol | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 55949-38-7 | |
| InChi Code: | InChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7) |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -1.961 |
experimental value |
| -3.2426 |
Tab2: Model for diverse chemicals (External validation set) |