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: | 240 | |
|---|---|---|
| Name: | Pyrethrin II | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 121-29-9 | |
| InChi Code: | InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+/t16-,18+,19+/m1/s1 |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -7.341 |
experimental value |
| -6.2777 |
Tab2: Model for diverse chemicals (External validation set) |