Molecule ID: mol1276
SMILES: CC(=O)N(C)c1ccccn1
InChI: InChI=1S/C8H10N2O/c1-7(11)10(2)8-5-3-4-6-9-8/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.01 | IUPAC digitized pKa | 1 » 0 |
| 2.01 | Datawarrior | 1 » 0 |
| 2.01 | OCHEM | 1 » 0 |
| 2.01 | Hunt | 1 » 0 |
| 2.01 | OCHEM | 1 » 0 |
| 2.01 | AttenGpKa training set | 1 » 0 |