Molecule ID: mol29508
SMILES: Oc1nc2ncnc(O)c2[nH]1
InChI: InChI=1S/C5H4N4O2/c10-4-2-3(6-1-7-4)9-5(11)8-2/h1H,(H3,6,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | AttenGpKa training set | 0 » -1 |
| 7.65 | QSARToolbox | 0 » -1 |
| 9.87 | QSARToolbox | -1 » -2 |
| 9.87 | AttenGpKa training set | -1 » -2 |