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: | 1833 | |
|---|---|---|
| Name: | (2E)-3-[4-(dimethylamino)phenyl]prop-2-enal | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Dimethylaminocinnamaldehyde | |
| Labels: | ||
| CAS: | 6203-18-5 | |
| InChi Code: | InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3/b4-3+ |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.47 |
experimental value |
| 4.0508 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9022237 | US EPA CompTox Dashboard |