Molecule ID: mol3549
SMILES: CN(C)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1
InChI: InChI=1S/C21H21NO/c1-22(2)20-15-13-19(14-16-20)21(23,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,23H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.54 | IUPAC digitized pKa | 1 » 0 |
| 3.56 | IUPAC digitized pKa | 1 » 0 |
| 4.75 | IUPAC digitized pKa | 1 » 0 |
| 4.82 | IUPAC digitized pKa | 1 » 0 |
| 4.82 | IUPAC digitized pKa | 1 » 0 |