Molecule ID: mol7036
SMILES: Nc1cnc(O)nc1O
InChI: InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | IUPAC digitized pKa | 1 » 0 |
| 3.20 | QSARToolbox | 1 » 0 |
| 9.34 | QSARToolbox | 0 » -1 |
| 9.52 | IUPAC digitized pKa | 0 » -1 |
| 9.52 | QSARToolbox | 0 » -1 |