Molecule ID: mol37908
SMILES: CN(C)C(=O)c1cc(S(=O)(=O)O)cc(-c2cc(S(=O)(=O)O)cc(C(=O)N(C)C)c2O)c1O
InChI: InChI=1S/C18H20N2O10S2/c1-19(2)17(23)13-7-9(31(25,26)27)5-11(15(13)21)12-6-10(32(28,29)30)8-14(16(12)22)18(24)20(3)4/h5-8,21-22H,1-4H3,(H,25,26,27)(H,28,29,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | QSARToolbox | -3 » -4 |