Molecule ID: mol7381
SMILES: Cc1c(O)ncnc1O
InChI: InChI=1S/C5H6N2O2/c1-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.51 | IUPAC digitized pKa | 1 » 0 |
| -0.51 | QSARToolbox | 1 » 0 |
| 6.03 | IUPAC digitized pKa | 0 » -1 |
| 6.30 | QSARToolbox | 0 » -1 |