Molecule ID: mol2638
SMILES: COc1ccc2ncc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1
InChI: InChI=1S/C24H28FN5O3/c1-31-23-3-2-20-24(29-23)18(19(25)14-28-20)6-9-30-7-4-16(5-8-30)26-13-17-12-21-22(15-27-17)33-11-10-32-21/h2-3,12,14-16,26H,4-11,13H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.83 | Manchester | 2 » 1 |
| 8.34 | Manchester | 1 » 0 |