Molecule ID: mol921
SMILES: CCCCCN
InChI: InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.57 | IUPAC digitized pKa | 1 » 0 |
| 10.63 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.63 | OCHEM | 1 » 0 |
| 10.63 | Hunt | 1 » 0 |
| 10.64 | OCHEM | 1 » 0 |
| 10.64 | IUPAC digitized pKa | 1 » 0 |
| 10.65 | Datawarrior | 1 » 0 |
| 10.65 | OCHEM | 1 » 0 |
| 10.66 | OCHEM | 1 » 0 |
| 10.71 | IUPAC digitized pKa | 1 » 0 |
| 10.72 | AttenGpKa training set | 1 » 0 |
| 10.79 | IUPAC digitized pKa | 1 » 0 |