Molecule ID: mol4775
SMILES: Cc1nc2c(=O)nc(O)nc-2n(C)c1C
InChI: InChI=1S/C9H10N4O2/c1-4-5(2)13(3)7-6(10-4)8(14)12-9(15)11-7/h1-3H3,(H,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.85 | IUPAC digitized pKa | 1 » 0 |
| 0.85 | AttenGpKa training set | 1 » 0 |
| 9.83 | IUPAC digitized pKa | 0 » -1 |
| 9.86 | IUPAC digitized pKa | 0 » -1 |
| 9.86 | AttenGpKa training set | 0 » -1 |