Molecule ID: mol17537
SMILES: O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc2nonc2c1
InChI: InChI=1S/C23H28FN5O3/c24-9-16-31-22-6-2-1-5-21(22)29-14-12-28(13-15-29)11-4-3-10-25-23(30)18-7-8-19-20(17-18)27-32-26-19/h1-2,5-8,17H,3-4,9-16H2,(H,25,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.78 | Baltruschat ChEMBL | 1 » 0 |