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: | 2011 | |
|---|---|---|
| Name: | (2R)-1-methoxypropan-2-yl acetate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Methoxy-2-propylacetate | |
| Labels: | ||
| CAS: | 108-65-6 | |
| InChi Code: | InChI=1/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3/t5-/m1/s1 |
Properties
M7.pEC50: Daphnia toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -0.49 |
experimental value |
| -0.9734 |
Tab2.Model_7: Esters D. magna EC50 (Training set) |