Molecule ID: mol21582
SMILES: CCCN1CCN(c2cccc(Cl)c2)CC1
InChI: InChI=1S/C13H19ClN2/c1-2-6-15-7-9-16(10-8-15)13-5-3-4-12(14)11-13/h3-5,11H,2,6-10H2,1H3
| 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 |