Molecule ID: mol21583
SMILES: CCCN1CCN(c2ccc(Cl)cc2)CC1
InChI: InChI=1S/C13H19ClN2/c1-2-7-15-8-10-16(11-9-15)13-5-3-12(14)4-6-13/h3-6H,2,7-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.83 | OCHEM | 1 » 0 |
| 7.83 | Baltruschat ChEMBL | 1 » 0 |
| 7.83 | AttenGpKa training set | 1 » 0 |