Molecule ID: mol3222
SMILES: CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.25 | OCHEM | 1 » 0 |
| 8.25 | Baltruschat ChEMBL | 1 » 0 |
| 8.62 | OCHEM | 1 » 0 |
| 8.62 | Datawarrior | 1 » 0 |
| 8.94 | IUPAC digitized pKa | 1 » 0 |
| 8.94 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.94 | OCHEM | 1 » 0 |
| 8.94 | OCHEM | 1 » 0 |
| 9.30 | Baltruschat ChEMBL | 1 » 0 |
| 9.53 | OCHEM | 1 » 0 |
| 10.12 | IUPAC digitized pKa | 1 » 0 |