Molecule ID: mol16744
SMILES: CS(=O)(=O)NC(=O)c1ccc(-c2c3c([nH]c(=O)c2C#N)-c2ccccc2OC3)cc1
InChI: InChI=1S/C21H15N3O5S/c1-30(27,28)24-20(25)13-8-6-12(7-9-13)18-15(10-22)21(26)23-19-14-4-2-3-5-17(14)29-11-16(18)19/h2-9H,11H2,1H3,(H,23,26)(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | Baltruschat ChEMBL | 0 » -1 |