Molecule ID: mol13669
SMILES: O=C(O)[C@@H]1C[C@@H](O)CN1
InChI: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.79 | QSARToolbox | 1 » 0 |
| 1.92 | Datawarrior | 1 » 0 |
| 1.93 | QSARToolbox | 1 » 0 |
| 9.14 | QSARToolbox | 0 » -1 |
| 9.47 | QSARToolbox | 0 » -1 |
| 9.58 | QSARToolbox | 0 » -1 |
| 9.64 | Datawarrior | 0 » -1 |
| 9.68 | QSARToolbox | 0 » -1 |
| 9.70 | QSARToolbox | 0 » -1 |
| 9.73 | QSARToolbox | 0 » -1 |