Molecule ID: mol19440
SMILES: O=C(O)[C@H]1CNC[C@@H](O)C1
InChI: InChI=1S/C6H11NO3/c8-5-1-4(6(9)10)2-7-3-5/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Baltruschat ChEMBL | 1 » 0 |
| 8.90 | Baltruschat ChEMBL | 0 » -1 |