Molecule ID: mol8026
SMILES: Oc1cnc2ccncc2n1
InChI: InChI=1S/C7H5N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-4H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.78 | IUPAC digitized pKa | 1 » 0 |
| 6.78 | QSARToolbox | 0 » -1 |
| 7.20 | QSARToolbox | 0 » -1 |
| 7.33 | QSARToolbox | 0 » -1 |
| 7.33 | IUPAC digitized pKa | 0 » -1 |
| 7.49 | QSARToolbox | 0 » -1 |
| 7.49 | IUPAC digitized pKa | 0 » -1 |