Molecule ID: mol20423
SMILES: O=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2
InChI: InChI=1S/C26H30F2N2O/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20/h4-11,23H,1-3,12-18H2,(H,29,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.75 | Baltruschat ChEMBL | 1 » 0 |