Molecule ID: mol20343
SMILES: O=C(/C=C/c1ccc(CNCCc2c[nH]c3ccccc23)cc1)NO
InChI: InChI=1S/C20H21N3O2/c24-20(23-25)10-9-15-5-7-16(8-6-15)13-21-12-11-17-14-22-19-4-2-1-3-18(17)19/h1-10,14,21-22,25H,11-13H2,(H,23,24)/b10-9+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | Baltruschat ChEMBL | 1 » 0 |