Molecule ID: mol8235
SMILES: Oc1cnc2c(O)nc(O)nc2n1
InChI: InChI=1S/C6H4N4O3/c11-2-1-7-3-4(8-2)9-6(13)10-5(3)12/h1H,(H3,8,9,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.41 | QSARToolbox | 0 » -1 |
| 3.43 | IUPAC digitized pKa | 0 » -1 |
| 3.47 | QSARToolbox | 0 » -1 |
| 3.61 | IUPAC digitized pKa | 0 » -1 |
| 3.61 | AttenGpKa training set | 0 » -1 |
| 9.80 | IUPAC digitized pKa | -1 » -2 |
| 9.85 | QSARToolbox | -1 » -2 |