Molecule ID: mol3567
SMILES: O=C(Cc1ccccc1)C(CN1CCCCC1)c1ccccc1
InChI: InChI=1S/C21H25NO/c23-21(16-18-10-4-1-5-11-18)20(19-12-6-2-7-13-19)17-22-14-8-3-9-15-22/h1-2,4-7,10-13,20H,3,8-9,14-17H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.03 | IUPAC digitized pKa | 1 » 0 |
| 9.03 | OCHEM | 1 » 0 |
| 9.30 | QSARToolbox | 1 » 0 |