Molecule ID: mol21579
SMILES: CCCN1CCN(c2cccc(O)c2)CC1
InChI: InChI=1S/C13H20N2O/c1-2-6-14-7-9-15(10-8-14)12-4-3-5-13(16)11-12/h3-5,11,16H,2,6-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.82 | OCHEM | 1 » 0 |
| 7.82 | Baltruschat ChEMBL | 1 » 0 |
| 7.82 | AttenGpKa training set | 1 » 0 |