Molecule ID: mol37497
SMILES: O=C(O)COc1c2cc(S(=O)(=O)O)cc1Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1OCC(=O)O)Cc1cc(S(=O)(=O)O)cc(c1O)C2
InChI: InChI=1S/C32H28O20S4/c33-27(34)13-51-31-19-1-15-5-23(53(39,40)41)6-16(29(15)37)2-21-11-26(56(48,49)50)12-22(32(21)52-14-28(35)36)4-18-8-24(54(42,43)44)7-17(30(18)38)3-20(31)10-25(9-19)55(45,46)47/h5-12,37-38H,1-4,13-14H2,(H,33,34)(H,35,36)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.58 | QSARToolbox | -4 » -5 |