Molecule ID: mol7035
SMILES: Nc1cc(O)nc(O)n1
InChI: InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | IUPAC digitized pKa | 1 » 0 |
| 8.62 | QSARToolbox | 0 » -1 |
| 8.69 | QSARToolbox | 0 » -1 |
| 8.69 | IUPAC digitized pKa | 0 » -1 |
| 15.32 | QSARToolbox | -1 » -2 |
| 15.32 | IUPAC digitized pKa | -1 » -2 |