Molecule ID: mol17103
SMILES: O=C(C1CCN(c2ccncc2F)CC1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChI: InChI=1S/C22H24F4N4O3S/c23-19-15-27-8-5-20(19)28-9-6-16(7-10-28)21(31)29-11-13-30(14-12-29)34(32,33)18-3-1-17(2-4-18)22(24,25)26/h1-5,8,15-16H,6-7,9-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | OCHEM | 1 » 0 |
| 6.70 | Baltruschat ChEMBL | 1 » 0 |