Molecule ID: mol1238
SMILES: CCCCN1CCCCC1
InChI: InChI=1S/C9H19N/c1-2-3-7-10-8-5-4-6-9-10/h2-9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.42 | AttenGpKa training set | 1 » 0 |
| 10.43 | IUPAC digitized pKa | 1 » 0 |
| 10.43 | OCHEM | 1 » 0 |
| 10.43 | Hunt | 1 » 0 |
| 10.45 | OCHEM | 1 » 0 |
| 10.47 | IUPAC digitized pKa | 1 » 0 |
| 10.47 | Datawarrior | 1 » 0 |
| 10.47 | OCHEM | 1 » 0 |