Molecule ID: mol4732
SMILES: Cc1nc2nc(O)nc(N)c2nc1C
InChI: InChI=1S/C8H9N5O/c1-3-4(2)11-7-5(10-3)6(9)12-8(14)13-7/h1-2H3,(H3,9,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.41 | IUPAC digitized pKa | 1 » 0 |
| 3.45 | IUPAC digitized pKa | 1 » 0 |
| 3.49 | AttenGpKa training set | 1 » 0 |
| 10.53 | IUPAC digitized pKa | 0 » -1 |
| 10.69 | AttenGpKa training set | 0 » -1 |
| 10.73 | IUPAC digitized pKa | 0 » -1 |