Molecule ID: mol4691
SMILES: Oc1nc2cccnc2nc1O
InChI: InChI=1S/C7H5N3O2/c11-6-7(12)10-5-4(9-6)2-1-3-8-5/h1-3H,(H,9,11)(H,8,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.10 | QSARToolbox | 1 » 0 |
| 8.49 | QSARToolbox | 0 » -1 |
| 8.49 | IUPAC digitized pKa | 0 » -1 |
| 11.86 | QSARToolbox | -1 » -2 |
| 11.86 | IUPAC digitized pKa | -1 » -2 |