Molecule ID: mol20625
SMILES: O[C@@H]1c2cc(OCc3ccccn3)ccc2OC[C@@H]1Cc1cccnc1
InChI: InChI=1S/C21H20N2O3/c24-21-16(10-15-4-3-8-22-12-15)13-26-20-7-6-18(11-19(20)21)25-14-17-5-1-2-9-23-17/h1-9,11-12,16,21,24H,10,13-14H2/t16-,21-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.25 | Baltruschat ChEMBL | 1 » 0 |