Molecule ID: mol13668
SMILES: O=C1CCC(C(=O)O)N1
InChI: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.25 | Datawarrior | 0 » -1 |
| 3.32 | QSARToolbox | 0 » -1 |
| 3.32 | QSARToolbox | 0 » -1 |
| 3.32 | QSARToolbox | 0 » -1 |
| 3.32 | QSARToolbox | 0 » -1 |
| 3.32 | AttenGpKa training set | 0 » -1 |
| 3.33 | OCHEM | 0 » -1 |
| 3.40 | Datawarrior | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |