Molecule ID: mol20875
SMILES: O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
InChI: InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.31 | OCHEM | 1 » 0 |
| 14.06 | Baltruschat ChEMBL | 0 » -1 |