Molecule ID: mol11815
SMILES: O=S(=O)(O)c1ccc(N=Nc2cc(O)c(O)cc2Br)cc1
InChI: InChI=1S/C12H9BrN2O5S/c13-9-5-11(16)12(17)6-10(9)15-14-7-1-3-8(4-2-7)21(18,19)20/h1-6,16-17H,(H,18,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.72 | IUPAC digitized pKa | -1 » -2 |
| 11.90 | IUPAC digitized pKa | -2 » -3 |