Molecule ID: mol3748
SMILES: CC(=O)N(C)c1cccnc1
InChI: InChI=1S/C8H10N2O/c1-7(11)10(2)8-4-3-5-9-6-8/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.52 | IUPAC digitized pKa | 1 » 0 |
| 3.52 | Datawarrior | 1 » 0 |
| 3.52 | OCHEM | 1 » 0 |
| 3.52 | OCHEM | 1 » 0 |
| 3.52 | AttenGpKa training set | 1 » 0 |