Molecule ID: mol6776
SMILES: Nc1nc(O)cnc1C=O
InChI: InChI=1S/C5H5N3O2/c6-5-3(2-9)7-1-4(10)8-5/h1-2H,(H3,6,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.34 | QSARToolbox | 1 » 0 |
| -1.34 | AttenGpKa training set | 1 » 0 |
| 6.61 | IUPAC digitized pKa | 0 » -1 |
| 6.61 | AttenGpKa training set | 0 » -1 |