Molecule ID: mol18793
SMILES: Cc1ccc(NS(=O)(=O)Cc2ccc(Br)cc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1
InChI: InChI=1S/C23H22BrN5O5S/c1-14-2-9-19(28-35(32,33)13-15-3-6-17(24)7-4-15)23(31)29(14)12-21(30)26-11-16-5-8-18-20(10-16)34-27-22(18)25/h2-10,28H,11-13H2,1H3,(H2,25,27)(H,26,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | OCHEM | 0 » -1 |
| 8.60 | Baltruschat ChEMBL | 0 » -1 |