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: | 48 | |
|---|---|---|
| Name: | 1,4-dihydropyridin-4-imine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Dalfampridine | |
| Labels: | ||
| CAS: | 504-24-5 | |
| InChi Code: | InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7) |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.47 |
experimental value |
| 3.8582 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |