Molecule ID: mol12632
SMILES: CCCCNCc1ccccc1
InChI: InChI=1S/C11H17N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.46 | Datawarrior | 1 » 0 |
| 9.46 | OCHEM | 1 » 0 |
| 9.46 | AttenGpKa training set | 1 » 0 |