Molecule ID: mol20302
SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CN=C(N)NC1
InChI: InChI=1S/C20H26N6O4S/c1-14-7-8-17(25-31(29,30)13-15-5-3-2-4-6-15)19(28)26(14)12-18(27)22-9-16-10-23-20(21)24-11-16/h2-8,16,25H,9-13H2,1H3,(H,22,27)(H3,21,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 14.00 | Baltruschat ChEMBL | -1 » -2 |