Molecule ID: mol20170
SMILES: CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1CCOCC1)c1ccccc1
InChI: InChI=1S/C24H27F2N3O2/c1-18(30)29-24(19-6-3-2-4-7-19,10-5-11-28-12-14-31-15-13-28)17-23(27-29)21-16-20(25)8-9-22(21)26/h2-4,6-9,16H,5,10-15,17H2,1H3/t24-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.10 | Baltruschat ChEMBL | 1 » 0 |