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: | 2012 | |
|---|---|---|
| Name: | propan-2-yl tetradecanoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Isopropylmyristate | |
| Labels: | ||
| CAS: | 110-27-0 | |
| InChi Code: | InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3 |
Properties
M7.pEC50: Daphnia toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 0.43 |
experimental value |
| 1.1058 |
Tab2.Model_7: Esters D. magna EC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0026838 | US EPA CompTox Dashboard |