Molecule ID: mol157
SMILES: CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChI: InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.24 | OCHEM | 1 » 0 |
| 8.40 | OCHEM | 1 » 0 |
| 8.43 | OCHEM | 1 » 0 |
| 8.43 | OCHEM | 1 » 0 |
| 8.43 | OCHEM | 1 » 0 |
| 8.43 | Baltruschat ChEMBL | 1 » 0 |
| 8.43 | Baltruschat ChEMBL | 1 » 0 |
| 8.43 | Settimo | 1 » 0 |
| 8.43 | Settimo | 1 » 0 |
| 8.99 | OCHEM | 1 » 0 |