Molecule ID: mol25775
SMILES: CC(C)Nc1nc(N)nc(O)n1
InChI: InChI=1S/C6H11N5O/c1-3(2)8-5-9-4(7)10-6(12)11-5/h3H,1-2H3,(H4,7,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.71 | AttenGpKa training set | 1 » 0 |
| 9.96 | AttenGpKa training set | 0 » -1 |