Molecule ID: mol4483
SMILES: Nc1cccc2[nH]cnc12
InChI: InChI=1S/C7H7N3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,8H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | IUPAC digitized pKa | 2 » 1 |
| 5.30 | IUPAC digitized pKa | 1 » 0 |
| 5.30 | OCHEM | 1 » 0 |