Molecule ID: mol20760
SMILES: COc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1ccc(C)cc1)C2
InChI: InChI=1S/C20H26N2O3S/c1-16-4-8-20(9-5-16)26(23,24)21-11-3-12-22-13-10-17-14-19(25-2)7-6-18(17)15-22/h4-9,14,21H,3,10-13,15H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Baltruschat ChEMBL | 1 » 0 |