Molecule ID: mol20626
SMILES: O[C@@H]1c2cc(OCc3cccc(F)n3)ccc2OC[C@@H]1Cc1cccnc1
InChI: InChI=1S/C21H19FN2O3/c22-20-5-1-4-16(24-20)13-26-17-6-7-19-18(10-17)21(25)15(12-27-19)9-14-3-2-8-23-11-14/h1-8,10-11,15,21,25H,9,12-13H2/t15-,21-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.44 | Baltruschat ChEMBL | 2 » 1 |