Molecule ID: mol21576
SMILES: CCCN1CCN(c2cccc(OC)c2)CC1
InChI: InChI=1S/C14H22N2O/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)17-2/h4-6,12H,3,7-11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.86 | OCHEM | 1 » 0 |
| 7.86 | Baltruschat ChEMBL | 1 » 0 |
| 7.86 | AttenGpKa training set | 1 » 0 |