Molecule ID: mol4697
SMILES: Oc1nc2ccncc2nc1O
InChI: InChI=1S/C7H5N3O2/c11-6-7(12)10-5-3-8-2-1-4(5)9-6/h1-3H,(H,9,11)(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.37 | IUPAC digitized pKa | 1 » 0 |
| 8.08 | IUPAC digitized pKa | 0 » -1 |
| 13.50 | IUPAC digitized pKa | -1 » -2 |