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: | 1848 | |
|---|---|---|
| Name: | 1-(2,3,4-trimethoxyphenyl)ethan-1-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2',3',4'-Trimethoxyacetophenone | |
| Labels: | ||
| CAS: | 13909-73-4 | |
| InChi Code: | InChI=1S/C11H14O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6H,1-4H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.02 |
experimental value |
| 4.4342 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7022257 | US EPA CompTox Dashboard |