Molecule ID: mol8578
SMILES: O=C(O)C1CCCCN1
InChI: InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | OCHEM | 1 » 0 |
| 2.28 | QSARToolbox | 1 » 0 |
| 2.36 | AttenGpKa training set | 1 » 0 |
| 2.50 | Datawarrior | 1 » 0 |
| 2.50 | OCHEM | 1 » 0 |
| 2.50 | QSARToolbox | 1 » 0 |
| 2.50 | QSARToolbox | 1 » 0 |
| 10.33 | AttenGpKa training set | 0 » -1 |
| 10.38 | IUPAC digitized pKa | 0 » -1 |
| 10.63 | Datawarrior | 0 » -1 |
| 10.63 | OCHEM | 0 » -1 |
| 10.80 | QSARToolbox | 0 » -1 |
| 10.80 | QSARToolbox | 0 » -1 |