Molecule ID: mol13511
SMILES: CCCCC(N)C(=O)O
InChI: InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.29 | Datawarrior | 1 » 0 |
| 2.33 | OCHEM | 1 » 0 |
| 2.34 | OCHEM | 1 » 0 |
| 2.34 | QSARToolbox | 1 » 0 |
| 2.34 | QSARToolbox | 1 » 0 |
| 2.34 | QSARToolbox | 1 » 0 |
| 2.39 | Datawarrior | 1 » 0 |
| 2.39 | QSARToolbox | 1 » 0 |
| 2.39 | QSARToolbox | 1 » 0 |
| 9.76 | Datawarrior | 0 » -1 |
| 9.80 | OCHEM | 0 » -1 |
| 9.82 | OCHEM | 0 » -1 |
| 9.89 | Datawarrior | 0 » -1 |