Molecule ID: mol2597
SMILES: CCOc1ccc(/N=C(\C)Nc2ccc(OCC)cc2)cc1
InChI: InChI=1S/C18H22N2O2/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.27 | IUPAC digitized pKa | 1 » 0 |
| 9.27 | OCHEM | 1 » 0 |
| 9.27 | OCHEM | 1 » 0 |
| 9.30 | Jensen | 1 » 0 |