Molecule ID: mol17754
SMILES: CCCCc1cc(OC2CCN(CCCNS(=O)(=O)CC)CC2)c2ncccc2c1
InChI: InChI=1S/C23H35N3O3S/c1-3-5-8-19-17-20-9-6-12-24-23(20)22(18-19)29-21-10-15-26(16-11-21)14-7-13-25-30(27,28)4-2/h6,9,12,17-18,21,25H,3-5,7-8,10-11,13-16H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Baltruschat ChEMBL | 1 » 0 |