Molecule ID: mol19317
SMILES: COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2c1CC[C@@H](N(C)C)C2
InChI: InChI=1S/C20H25ClN2O4S/c1-23(2)14-6-7-15-16(12-14)18(26-3)9-10-20(15)28(24,25)22-17-11-13(21)5-8-19(17)27-4/h5,8-11,14,22H,6-7,12H2,1-4H3/t14-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.50 | Baltruschat ChEMBL | 0 » -1 |