Molecule ID: mol3949
SMILES: CCN1CCOCC1
InChI: InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.67 | IUPAC digitized pKa | 1 » 0 |
| 7.67 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 7.67 | OCHEM | 1 » 0 |
| 7.67 | OCHEM | 1 » 0 |
| 7.67 | OCHEM | 1 » 0 |
| 7.67 | OCHEM | 1 » 0 |
| 7.67 | OCHEM | 1 » 0 |
| 7.67 | QSARToolbox | 1 » 0 |
| 7.70 | QSARToolbox | 1 » 0 |
| 7.70 | QSARToolbox | 1 » 0 |
| 7.70 | QSARToolbox | 1 » 0 |
| 7.70 | AttenGpKa training set | 1 » 0 |
| 7.72 | OCHEM | 1 » 0 |
| 7.72 | Datawarrior | 1 » 0 |
| 7.80 | QSARToolbox | 1 » 0 |
| 8.08 | OCHEM | 1 » 0 |