Molecule ID: mol3507
SMILES: CN(C)c1ccc(C(O)c2ccc(N(C)C)cc2)cc1
InChI: InChI=1S/C17H22N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12,17,20H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.31 | OCHEM | 1 » 0 |
| 5.61 | Datawarrior | 1 » 0 |
| 5.61 | IUPAC digitized pKa | 2 » 1 |
| 5.61 | OCHEM | 1 » 0 |
| 5.61 | QSARToolbox | 1 » 0 |