Molecule ID: mol4773
SMILES: Cn1c(=O)nc(O)c2nccnc21
InChI: InChI=1S/C7H6N4O2/c1-11-5-4(8-2-3-9-5)6(12)10-7(11)13/h2-3H,1H3,(H,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.45 | IUPAC digitized pKa | 0 » -1 |
| 8.45 | IUPAC digitized pKa | 0 » -1 |
| 8.57 | IUPAC digitized pKa | 0 » -1 |
| 8.57 | AttenGpKa training set | 0 » -1 |