Molecule ID: mol3622
SMILES: O=C(Nc1ccccn1)c1ccccc1
InChI: InChI=1S/C12H10N2O/c15-12(10-6-2-1-3-7-10)14-11-8-4-5-9-13-11/h1-9H,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.33 | OCHEM | 1 » 0 |
| 3.33 | IUPAC digitized pKa | 1 » 0 |
| 3.33 | Datawarrior | 1 » 0 |
| 3.33 | OCHEM | 1 » 0 |
| 3.33 | AttenGpKa training set | 1 » 0 |