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: | 1773 | |
|---|---|---|
| Name: | 1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Acetyl-1-methylpyrrole | |
| Labels: | ||
| CAS: | 932-16-1 | |
| InChi Code: | InChI=1S/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.9 |
experimental value |
| 2.6693 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6022139 | US EPA CompTox Dashboard |