Molecule ID: mol8020
SMILES: Oc1ccc2nccnc2n1
InChI: InChI=1S/C7H5N3O/c11-6-2-1-5-7(10-6)9-4-3-8-5/h1-4H,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.20 | QSARToolbox | 1 » 0 |
| -1.20 | IUPAC digitized pKa | 1 » 0 |
| 9.52 | IUPAC digitized pKa | 0 » -1 |
| 9.52 | QSARToolbox | 0 » -1 |