Molecule ID: mol18766
SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)[nH]nc2c1
InChI: InChI=1S/C23H24N6O4S/c1-15-7-10-19(28-34(32,33)14-16-5-3-2-4-6-16)23(31)29(15)13-21(30)25-12-17-8-9-18-20(11-17)26-27-22(18)24/h2-11,28H,12-14H2,1H3,(H,25,30)(H3,24,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | OCHEM | 1 » 0 |
| 3.80 | Baltruschat ChEMBL | 1 » 0 |