Molecule ID: mol3749
SMILES: CC(=O)N(C)c1ccncc1
InChI: InChI=1S/C8H10N2O/c1-7(11)10(2)8-3-5-9-6-4-8/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.62 | OCHEM | 1 » 0 |
| 4.62 | IUPAC digitized pKa | 1 » 0 |
| 4.62 | Datawarrior | 1 » 0 |
| 4.62 | OCHEM | 1 » 0 |
| 4.62 | AttenGpKa training set | 1 » 0 |