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: | 376 | |
|---|---|---|
| Name: | 2-hydroxyethyl prop-2-enoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Hydroxyethyl acrylate | |
| Labels: | ||
| CAS: | 818-61-1 | |
| InChi Code: | InChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.38 |
experimental value |
| 2.7484 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M6.pLC50: Fathead minnow toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 1.38 |
experimental value |
| 1.2259 |
Tab2.Model_6: Esters P. promelas LC50 (Training set) |
M7.pEC50: Daphnia toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 2.17 |
experimental value |
| 1.8884 |
Tab2.Model_7: Esters D. magna EC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022123 | US EPA CompTox Dashboard |