Molecule ID: mol21580
SMILES: CCCN1CCN(c2ccc(O)cc2)CC1
InChI: InChI=1S/C13H20N2O/c1-2-7-14-8-10-15(11-9-14)12-3-5-13(16)6-4-12/h3-6,16H,2,7-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.92 | OCHEM | 1 » 0 |
| 7.92 | Baltruschat ChEMBL | 1 » 0 |
| 7.92 | AttenGpKa training set | 1 » 0 |