Molecule ID: mol4767
SMILES: CC1=Nc2c(C)nc(O)nc2NC1
InChI: InChI=1S/C8H10N4O/c1-4-3-9-7-6(10-4)5(2)11-8(13)12-7/h3H2,1-2H3,(H2,9,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | IUPAC digitized pKa | 1 » 0 |
| 3.99 | AttenGpKa training set | 1 » 0 |
| 12.50 | IUPAC digitized pKa | -1 » -2 |
| 12.50 | AttenGpKa training set | -1 » -2 |