Molecule ID: mol37965
SMILES: O=C1/C(=N\Nc2ccc(S(=O)(=O)O)cc2)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21
InChI: InChI=1S/C16H12N2O10S3/c19-16-13-6-5-12(30(23,24)25)7-9(13)8-14(31(26,27)28)15(16)18-17-10-1-3-11(4-2-10)29(20,21)22/h1-8,17H,(H,20,21,22)(H,23,24,25)(H,26,27,28)/b18-15-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.30 | QSARToolbox | -3 » -4 |