Molecule ID: mol2120
SMILES: CCC(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C23H29NO/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.81 | IUPAC digitized pKa | 1 » 0 |
| 8.81 | Hunt | 1 » 0 |
| 8.81 | OCHEM | 1 » 0 |
| 8.81 | QSARToolbox | 1 » 0 |
| 8.86 | QSARToolbox | 1 » 0 |
| 8.86 | OCHEM | 1 » 0 |
| 8.86 | Datawarrior | 1 » 0 |