Molecule ID: mol2640
SMILES: COc1ccc2ncc(F)c(CC[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChI: InChI=1S/C24H27FN4O4/c1-30-23-7-6-20-24(29-23)18(19(25)12-28-20)5-4-17-3-2-15(14-33-17)26-11-16-10-21-22(13-27-16)32-9-8-31-21/h6-7,10,12-13,15,17,26H,2-5,8-9,11,14H2,1H3/t15-,17+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.73 | Manchester | 2 » 1 |
| 7.15 | Manchester | 1 » 0 |