Molecule ID: mol36187
SMILES: O=C(O)COc1ccc(S(=O)(=O)Nc2cc(-c3nccs3)ccc2-c2nc3ccccc3[nH]2)cc1
InChI: InChI=1S/C24H18N4O5S2/c29-22(30)14-33-16-6-8-17(9-7-16)35(31,32)28-21-13-15(24-25-11-12-34-24)5-10-18(21)23-26-19-3-1-2-4-20(19)27-23/h1-13,28H,14H2,(H,26,27)(H,29,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | QSARToolbox | -1 » -2 |