Molecule ID: mol18783
SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)[nH]nc2n1
InChI: InChI=1S/C22H23N7O4S/c1-14-7-10-18(28-34(32,33)13-15-5-3-2-4-6-15)22(31)29(14)12-19(30)24-11-16-8-9-17-20(23)26-27-21(17)25-16/h2-10,28H,11-13H2,1H3,(H,24,30)(H3,23,25,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | OCHEM | 0 » -1 |
| 6.70 | Baltruschat ChEMBL | 0 » -1 |