Molecule ID: mol21578
SMILES: CCCN1CCN(c2ccccc2O)CC1
InChI: InChI=1S/C13H20N2O/c1-2-7-14-8-10-15(11-9-14)12-5-3-4-6-13(12)16/h3-6,16H,2,7-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.05 | OCHEM | 1 » 0 |
| 8.05 | Baltruschat ChEMBL | 1 » 0 |
| 8.05 | AttenGpKa training set | 1 » 0 |