Molecule ID: mol4807
SMILES: CCn1c2nc(O)nc(=O)c-2nc(C)c1C
InChI: InChI=1S/C10H12N4O2/c1-4-14-6(3)5(2)11-7-8(14)12-10(16)13-9(7)15/h4H2,1-3H3,(H,13,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.90 | IUPAC digitized pKa | 1 » 0 |
| 0.90 | AttenGpKa training set | 1 » 0 |
| 10.12 | IUPAC digitized pKa | 0 » -1 |
| 10.12 | AttenGpKa training set | 0 » -1 |