Molecule ID: mol2611
SMILES: COc1c(N2CCO[C@@H](CN(C)C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChI: InChI=1S/C21H26FN3O5/c1-23(2)9-13-10-24(6-7-30-13)18-16(22)8-14-17(20(18)29-3)25(12-4-5-12)11-15(19(14)26)21(27)28/h8,11-13H,4-7,9-10H2,1-3H3,(H,27,28)/t13-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | Manchester | 1 » 0 |
| 8.87 | Manchester | 0 » -1 |