Molecule ID: mol37949
SMILES: O=S(=O)(O)c1cc2c(O)c(c1)S(=O)(=O)c1cc(S(=O)(=O)O)cc(c1O)S(=O)(=O)c1cc(S(=O)(=O)O)cc(c1O)S(=O)(=O)c1cc(S(=O)(=O)O)cc(c1O)S2(=O)=O
InChI: InChI=1S/C24H16O24S8/c25-21-13-1-9(53(37,38)39)2-14(21)50(31,32)17-5-11(55(43,44)45)6-18(23(17)27)52(35,36)20-8-12(56(46,47)48)7-19(24(20)28)51(33,34)16-4-10(54(40,41)42)3-15(22(16)26)49(13,29)30/h1-8,25-28H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.81 | QSARToolbox | -5 » -6 |