Molecule ID: mol3547
SMILES: Nc1ccc(C(O)(c2ccccc2)c2ccc(N)cc2)cc1
InChI: InChI=1S/C19H18N2O/c20-17-10-6-15(7-11-17)19(22,14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,22H,20-21H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.38 | IUPAC digitized pKa | 2 » 1 |
| 5.83 | OCHEM | 1 » 0 |
| 5.83 | QSARToolbox | 1 » 0 |
| 5.83 | Datawarrior | 1 » 0 |