Molecule ID: mol16958
SMILES: CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOC1)CC2
InChI: InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-5-4-18(24(28)25-10-6-17(2)7-11-25)14-20(22)21-15-26(12-8-23(21)27)19-9-13-31-16-19/h4-5,14,17,19H,3,6-13,15-16H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.90 | Baltruschat ChEMBL | 1 » 0 |