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: | 40 | |
|---|---|---|
| Name: | 2-(2-nitrooxyethoxy)ethyl nitrate | |
| Description: | ||
| Labels: | Training | |
| CAS: | 693-21-0 | |
| InChi Code: | InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2 |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -3.338 |
experimental value |
| -3.0515 |
Tab2: Model for diverse chemicals (Training set) |