Molecule ID: mol3569
SMILES: N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C21H24N2/c22-18-21(19-10-4-1-5-11-19,20-12-6-2-7-13-20)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13H,3,8-9,14-17H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.02 | IUPAC digitized pKa | 1 » 0 |
| 8.02 | OCHEM | 1 » 0 |
| 8.07 | QSARToolbox | 1 » 0 |
| 8.07 | OCHEM | 1 » 0 |
| 8.07 | Datawarrior | 1 » 0 |
| 8.20 | QSARToolbox | 1 » 0 |