Molecule ID: mol18786
SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1
InChI: InChI=1S/C23H24N6O4S/c1-15-7-9-20(28-34(32,33)14-16-5-3-2-4-6-16)23(31)29(15)13-21(30)25-12-17-8-10-19-18(11-17)22(24)27-26-19/h2-11,28H,12-14H2,1H3,(H,25,30)(H3,24,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | OCHEM | 1 » 0 |
| 3.60 | Baltruschat ChEMBL | 1 » 0 |