Molecule ID: mol30081
SMILES: CCCOc1cc2c(cc1OCCC)C(=O)C(F)(CC1CCN(Cc3ccccc3)CC1)C2
InChI: InChI=1S/C28H36FNO3/c1-3-14-32-25-16-23-19-28(29,27(31)24(23)17-26(25)33-15-4-2)18-21-10-12-30(13-11-21)20-22-8-6-5-7-9-22/h5-9,16-17,21H,3-4,10-15,18-20H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.15 | AttenGpKa training set | 1 » 0 |