Molecule ID: mol1235
SMILES: C=CCN1CCCCC1
InChI: InChI=1S/C8H15N/c1-2-6-9-7-4-3-5-8-9/h2H,1,3-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.63 | IUPAC digitized pKa | 1 » 0 |
| 9.63 | QSARToolbox | 1 » 0 |
| 9.64 | OCHEM | 1 » 0 |
| 9.65 | QSARToolbox | 1 » 0 |
| 9.65 | QSARToolbox | 1 » 0 |
| 9.65 | IUPAC digitized pKa | 1 » 0 |
| 9.65 | OCHEM | 1 » 0 |
| 9.65 | OCHEM | 1 » 0 |
| 9.65 | Hunt | 1 » 0 |
| 9.65 | OCHEM | 1 » 0 |
| 9.66 | OCHEM | 1 » 0 |
| 9.66 | Datawarrior | 1 » 0 |
| 9.68 | AttenGpKa training set | 1 » 0 |
| 9.68 | QSARToolbox | 1 » 0 |
| 9.70 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |