Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 2008 | |
|---|---|---|
| Name: | 2-methylpropyl 2-methylprop-2-enoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Isobutylmethacrylate | |
| Labels: | ||
| CAS: | 97-86-9 | |
| InChi Code: | InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3 |
Properties
M7.pEC50: Daphnia toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 0.65 |
experimental value |
| 0.3547 |
Tab2.Model_7: Esters D. magna EC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3025461 | US EPA CompTox Dashboard |