Molecule ID: mol2118
SMILES: O=C(CCN1CCCCC1)C(c1ccccc1)c1ccccc1
InChI: InChI=1S/C21H25NO/c23-20(14-17-22-15-8-3-9-16-22)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,21H,3,8-9,14-17H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.45 | QSARToolbox | 1 » 0 |
| 9.45 | Hunt | 1 » 0 |
| 9.45 | OCHEM | 1 » 0 |