Molecule ID: mol4473
SMILES: ON=Cc1ccnc2ccccc12
InChI: InChI=1S/C10H8N2O/c13-12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.52 | IUPAC digitized pKa | 1 » 0 |
| 4.52 | OCHEM | 1 » 0 |
| 4.55 | OCHEM | 1 » 0 |
| 10.42 | OCHEM | 0 » -1 |
| 10.46 | IUPAC digitized pKa | 0 » -1 |