Molecule ID: mol3548
SMILES: Nc1ccc(C(O)(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChI: InChI=1S/C19H19N3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H,20-22H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.57 | IUPAC digitized pKa | 3 » 2 |
| 7.57 | QSARToolbox | 0 » -1 |
| 13.00 | IUPAC digitized pKa | 0 » -1 |