Molecule ID: mol4769
SMILES: Cc1cnc2c(n1)CNC(O)=N2
InChI: InChI=1S/C7H8N4O/c1-4-2-8-6-5(10-4)3-9-7(12)11-6/h2H,3H2,1H3,(H2,8,9,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.20 | AttenGpKa training set | 2 » 1 |
| 13.05 | IUPAC digitized pKa | 0 » -1 |
| 13.05 | AttenGpKa training set | 0 » -1 |