Molecule ID: mol12309
SMILES: O=C(O)c1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc([N+](=O)[O-])cc3)c(O)c2c1O
InChI: InChI=1S/C23H15N5O12S2/c29-21-18-11(9-16(41(35,36)37)19(21)26-24-12-5-7-13(8-6-12)28(33)34)10-17(42(38,39)40)20(22(18)30)27-25-15-4-2-1-3-14(15)23(31)32/h1-10,29-30H,(H,31,32)(H,35,36,37)(H,38,39,40)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.45 | IUPAC digitized pKa | -4 » -5 |