Molecule ID: mol20919
SMILES: Cc1cccc(C)c1NC(=O)C1CCCCN1C
InChI: InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | Baltruschat ChEMBL | 1 » 0 |
| 7.70 | AttenGpKa training set | 1 » 0 |
| 7.73 | OCHEM | 1 » 0 |
| 7.76 | OCHEM | 1 » 0 |