Molecule ID: mol1314
SMILES: CCC1=CCCN1
InChI: InChI=1S/C6H11N/c1-2-6-4-3-5-7-6/h4,7H,2-3,5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.57 | QSARToolbox | 1 » 0 |
| 7.87 | QSARToolbox | 1 » 0 |
| 7.87 | IUPAC digitized pKa | 1 » 0 |
| 7.87 | OCHEM | 1 » 0 |
| 7.87 | OCHEM | 1 » 0 |
| 7.87 | Hunt | 1 » 0 |
| 7.87 | OCHEM | 1 » 0 |