Molecule ID: mol25759
SMILES: CCNc1nc(N)nc(O)n1
InChI: InChI=1S/C5H9N5O/c1-2-7-4-8-3(6)9-5(11)10-4/h2H2,1H3,(H4,6,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.64 | AttenGpKa training set | 1 » 0 |
| 9.93 | AttenGpKa training set | 0 » -1 |