Molecule ID: mol3550
SMILES: CCN(CC)c1ccc(C(O)(c2ccccc2)c2ccc(N(CC)CC)cc2)cc1
InChI: InChI=1S/C27H34N2O/c1-5-28(6-2)25-18-14-23(15-19-25)27(30,22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4/h9-21,30H,5-8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | Datawarrior | 1 » 0 |
| 7.90 | IUPAC digitized pKa | 2 » 1 |
| 7.90 | QSARToolbox | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |