Molecule ID: mol34402
SMILES: COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)c(-c2nc3cc(C#N)ccc3[nH]2)c1
InChI: InChI=1S/C23H18N4O6S/c1-32-16-5-9-19(18(11-16)23-25-20-8-2-14(12-24)10-21(20)26-23)27-34(30,31)17-6-3-15(4-7-17)33-13-22(28)29/h2-11,27H,13H2,1H3,(H,25,26)(H,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.51 | QSARToolbox | 0 » -1 |