Molecule ID: mol18792
SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2n1
InChI: InChI=1S/C22H22N6O5S/c1-14-7-10-18(27-34(31,32)13-15-5-3-2-4-6-15)22(30)28(14)12-19(29)24-11-16-8-9-17-20(23)26-33-21(17)25-16/h2-10,27H,11-13H2,1H3,(H2,23,26)(H,24,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | Baltruschat ChEMBL | 1 » 0 |