Molecule ID: mol1258
SMILES: CC(=O)Nc1ccccn1
InChI: InChI=1S/C7H8N2O/c1-6(10)9-7-4-2-3-5-8-7/h2-5H,1H3,(H,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.09 | IUPAC digitized pKa | 1 » 0 |
| 4.09 | Datawarrior | 1 » 0 |
| 4.09 | OCHEM | 1 » 0 |
| 4.09 | Hunt | 1 » 0 |
| 4.09 | Baltruschat ChEMBL | 1 » 0 |
| 4.09 | AttenGpKa training set | 1 » 0 |
| 4.09 | OCHEM | 1 » 0 |