Molecule ID: mol34403
SMILES: COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)c(-c2nc3ccccc3[nH]2)c1
InChI: InChI=1S/C22H19N3O6S/c1-30-15-8-11-18(17(12-15)22-23-19-4-2-3-5-20(19)24-22)25-32(28,29)16-9-6-14(7-10-16)31-13-21(26)27/h2-12,25H,13H2,1H3,(H,23,24)(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.53 | QSARToolbox | 1 » 0 |