Molecule ID: mol17190
SMILES: COC(=O)C(c1ccccc1)C1CCCCN1
InChI: InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | AttenGpKa training set | 1 » 0 |
| 9.24 | Baltruschat ChEMBL | 1 » 0 |
| 9.24 | Baltruschat ChEMBL | 1 » 0 |