Molecule ID: mol25628
SMILES: O=C(/C=C/c1ccccc1)O[C@H]1C[C@@H]2C[C@H]1C[C@@H]2c1cnc[nH]1
InChI: InChI=1S/C19H20N2O2/c22-19(7-6-13-4-2-1-3-5-13)23-18-10-14-8-15(18)9-16(14)17-11-20-12-21-17/h1-7,11-12,14-16,18H,8-10H2,(H,20,21)/b7-6+/t14-,15-,16-,18-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.80 | AttenGpKa training set | 1 » 0 |