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: | 231 | |
|---|---|---|
| Name: | Bornate | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 115-31-1 | |
| InChi Code: | InChI=1S/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9-,10-,13+/m1/s1 |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -6.449 |
experimental value |
| -4.8262 |
Tab2: Model for diverse chemicals (External validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4040266 | US EPA CompTox Dashboard |