Molecule ID: mol37968
SMILES: O=C1/C(=N\Nc2ccccc2S(=O)(=O)O)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21
InChI: InChI=1S/C16H12N2O10S3/c19-16-11-6-5-10(29(20,21)22)7-9(11)8-14(31(26,27)28)15(16)18-17-12-3-1-2-4-13(12)30(23,24)25/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 |
|---|---|---|
| 13.20 | QSARToolbox | -3 » -4 |