Molecule ID: mol25788
SMILES: CC(C)(C)Nc1nc(N)nc(O)n1
InChI: InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.91 | AttenGpKa training set | 1 » 0 |
| 10.34 | AttenGpKa training set | 0 » -1 |