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: | 61 | |
|---|---|---|
| Name: | Simetryn | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 1014-70-6 | |
| InChi Code: | InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13) |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -3.63 |
experimental value |
| -4.8014 |
Tab2: Model for diverse chemicals (External validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8037596 | US EPA CompTox Dashboard |