Molecule ID: mol25789
SMILES: CCNc1nc(O)nc(NCC)n1
InChI: InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.94 | AttenGpKa training set | 1 » 0 |
| 10.31 | AttenGpKa training set | 0 » -1 |