Molecule ID: mol24590
SMILES: NC1C(O)C(N)C(O)C(N)C1O
InChI: InChI=1S/C6H15N3O3/c7-1-4(10)2(8)6(12)3(9)5(1)11/h1-6,10-12H,7-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.57 | AttenGpKa training set | 3 » 2 |
| 7.45 | AttenGpKa training set | 3 » 2 |
| 9.05 | AttenGpKa training set | 1 » 0 |