Molecule ID: mol21592
SMILES: CCCN1CCN(c2ccc(C#N)cc2)CC1
InChI: InChI=1S/C14H19N3/c1-2-7-16-8-10-17(11-9-16)14-5-3-13(12-15)4-6-14/h3-6H,2,7-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.78 | OCHEM | 1 » 0 |
| 7.78 | Baltruschat ChEMBL | 1 » 0 |
| 7.78 | AttenGpKa training set | 1 » 0 |