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: | 350 | |
|---|---|---|
| Name: | (2R)-2-ethylhexyl prop-2-enoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Ethylhexylacrylate | |
| Labels: | ||
| CAS: | 103-11-7 | |
| InChi Code: | InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3/t10-/m1/s1 |
Properties
M7.pEC50: Daphnia toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 1.02 |
experimental value |
| 1.4063 |
Tab2.Model_7: Esters D. magna EC50 (Training set) |