Molecule ID: mol12123
SMILES: O=S(=O)(O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cccc(S(=O)(=O)O)c3c2O)cc1
InChI: InChI=1S/C16H12N2O10S3/c19-16-14-9(2-1-3-12(14)30(23,24)25)8-13(31(26,27)28)15(16)18-17-10-4-6-11(7-5-10)29(20,21)22/h1-8,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | IUPAC digitized pKa | -3 » -4 |