Molecule ID: mol3624
SMILES: O=C(Nc1ccncc1)c1ccccc1
InChI: InChI=1S/C12H10N2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11/h1-9H,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.32 | IUPAC digitized pKa | 1 » 0 |
| 5.32 | Datawarrior | 1 » 0 |
| 5.32 | OCHEM | 1 » 0 |
| 5.32 | AttenGpKa training set | 1 » 0 |
| 5.32 | OCHEM | 1 » 0 |