Molecule ID: mol21577
SMILES: CCCN1CCN(c2ccc(OC)cc2)CC1
InChI: InChI=1S/C14H22N2O/c1-3-8-15-9-11-16(12-10-15)13-4-6-14(17-2)7-5-13/h4-7H,3,8-12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.88 | OCHEM | 1 » 0 |
| 7.88 | Baltruschat ChEMBL | 1 » 0 |
| 7.88 | AttenGpKa training set | 1 » 0 |