Molecule ID: mol20503
SMILES: CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
InChI: InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | Baltruschat ChEMBL | 1 » 0 |