Molecule ID: mol221
SMILES: CCCN1CCCCC1
InChI: InChI=1S/C8H17N/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.41 | IUPAC digitized pKa | 1 » 0 |
| 10.41 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.41 | OCHEM | 1 » 0 |
| 10.41 | OCHEM | 1 » 0 |
| 10.41 | OCHEM | 1 » 0 |
| 10.45 | Datawarrior | 1 » 0 |
| 10.45 | OCHEM | 1 » 0 |
| 10.48 | AttenGpKa training set | 1 » 0 |
| 10.50 | OCHEM | 1 » 0 |
| 10.50 | OCHEM | 1 » 0 |
| 10.50 | Hunt | 1 » 0 |
| 10.50 | Settimo | 1 » 0 |