Molecule ID: mol18198
SMILES: O=C(Nc1cccc(OCc2ccccc2F)c1)C1CCN(c2ccncc2)CC1
InChI: InChI=1S/C24H24FN3O2/c25-23-7-2-1-4-19(23)17-30-22-6-3-5-20(16-22)27-24(29)18-10-14-28(15-11-18)21-8-12-26-13-9-21/h1-9,12-13,16,18H,10-11,14-15,17H2,(H,27,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | Baltruschat ChEMBL | 1 » 0 |