Molecule ID: mol37930
SMILES: Nc1cc(S(=O)(=O)O)cc2c1C(=O)/C(=N\Nc1ccc(S(=O)(=O)O)cc1)C(S(=O)(=O)O)=C2
InChI: InChI=1S/C16H13N3O10S3/c17-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)19-18-9-1-3-10(4-2-9)30(21,22)23/h1-7,18H,17H2,(H,21,22,23)(H,24,25,26)(H,27,28,29)/b19-15-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.70 | QSARToolbox | -3 » -4 |