Molecule ID: mol3623
SMILES: O=C(Nc1cccnc1)c1ccccc1
InChI: InChI=1S/C12H10N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-9H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | IUPAC digitized pKa | 1 » 0 |
| 3.80 | Datawarrior | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 3.80 | AttenGpKa training set | 1 » 0 |