Molecule ID: mol20776
SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2n[nH]cc2C1
InChI: InChI=1S/C22H25N5O4S/c1-15-7-9-20(26-32(30,31)14-16-5-3-2-4-6-16)22(29)27(15)13-21(28)24-18-8-10-19-17(11-18)12-23-25-19/h2-7,9,12,18,26H,8,10-11,13-14H2,1H3,(H,23,25)(H,24,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | Baltruschat ChEMBL | 1 » 0 |