Molecule ID: mol20764
SMILES: COc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1cccc3ccccc13)C2
InChI: InChI=1S/C23H26N2O3S/c1-28-21-11-10-20-17-25(15-12-19(20)16-21)14-5-13-24-29(26,27)23-9-4-7-18-6-2-3-8-22(18)23/h2-4,6-11,16,24H,5,12-15,17H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Baltruschat ChEMBL | 1 » 0 |