Molecule ID: mol20775
SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2n[nH]cc2C1
InChI: InChI=1S/C23H27N5O4S/c1-16-7-9-21(27-33(31,32)15-17-5-3-2-4-6-17)23(30)28(16)14-22(29)24-12-18-8-10-20-19(11-18)13-25-26-20/h2-7,9,13,18,27H,8,10-12,14-15H2,1H3,(H,24,29)(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | Baltruschat ChEMBL | 1 » 0 |