Molecule ID: mol3950
SMILES: CCC(=O)C(CC(C)N1CCOCC1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.68 | IUPAC digitized pKa | 1 » 0 |
| 6.68 | OCHEM | 1 » 0 |
| 6.73 | Datawarrior | 1 » 0 |
| 6.81 | OCHEM | 1 » 0 |
| 6.89 | QSARToolbox | 1 » 0 |
| 6.89 | Datawarrior | 1 » 0 |
| 7.70 | IUPAC digitized pKa | 1 » 0 |