Molecule ID: mol17752
SMILES: CCCCc1cc(OC2CCN(CCCS(=O)(=O)CC)CC2)c2ncccc2c1
InChI: InChI=1S/C23H34N2O3S/c1-3-5-8-19-17-20-9-6-12-24-23(20)22(18-19)28-21-10-14-25(15-11-21)13-7-16-29(26,27)4-2/h6,9,12,17-18,21H,3-5,7-8,10-11,13-16H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | Baltruschat ChEMBL | 1 » 0 |