Molecule ID: mol12406
SMILES: O=C(O)C1CCCN1
InChI: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.91 | QSARToolbox | 1 » 0 |
| 1.94 | Datawarrior | 1 » 0 |
| 1.95 | QSARToolbox | 1 » 0 |
| 1.95 | QSARToolbox | 1 » 0 |
| 1.95 | QSARToolbox | 1 » 0 |
| 1.97 | OCHEM | 1 » 0 |
| 1.97 | QSARToolbox | 1 » 0 |
| 1.97 | QSARToolbox | 1 » 0 |
| 1.99 | Datawarrior | 1 » 0 |
| 1.99 | QSARToolbox | 1 » 0 |
| 1.99 | QSARToolbox | 1 » 0 |
| 1.99 | QSARToolbox | 1 » 0 |
| 1.99 | QSARToolbox | 1 » 0 |
| 10.15 | QSARToolbox | 0 » -1 |
| 10.56 | Datawarrior | 0 » -1 |
| 10.59 | OCHEM | 0 » -1 |
| 10.61 | Datawarrior | 0 » -1 |
| 10.62 | QSARToolbox | 0 » -1 |
| 10.62 | QSARToolbox | 0 » -1 |