Molecule ID: mol17105
SMILES: O=C(c1ccc(C(F)(F)F)cc1)N1CCC(=Cc2ccc(C3=NCCO3)cc2)CC1
InChI: InChI=1S/C23H21F3N2O2/c24-23(25,26)20-7-5-19(6-8-20)22(29)28-12-9-17(10-13-28)15-16-1-3-18(4-2-16)21-27-11-14-30-21/h1-8,15H,9-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | Baltruschat ChEMBL | 1 » 0 |