Molecule ID: mol4692
SMILES: Oc1cnc2cccnc2n1
InChI: InChI=1S/C7H5N3O/c11-6-4-9-5-2-1-3-8-7(5)10-6/h1-4H,(H,8,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.12 | QSARToolbox | 1 » 0 |
| 8.03 | IUPAC digitized pKa | 0 » -1 |
| 8.30 | QSARToolbox | 0 » -1 |