Molecule ID: mol3162
SMILES: CCN(CC)CCC(C(=O)Cc1ccccc1)c1ccccc1
InChI: InChI=1S/C21H27NO/c1-3-22(4-2)16-15-20(19-13-9-6-10-14-19)21(23)17-18-11-7-5-8-12-18/h5-14,20H,3-4,15-17H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.46 | IUPAC digitized pKa | 1 » 0 |
| 9.46 | QSARToolbox | 1 » 0 |