Molecule ID: mol37909
SMILES: CN(C)C(=O)c1cc(S(=O)(=O)O)cc(-c2cc(S(=O)(=O)O)ccc2O)c1O
InChI: InChI=1S/C15H15NO9S2/c1-16(2)15(19)12-7-9(27(23,24)25)6-11(14(12)18)10-5-8(26(20,21)22)3-4-13(10)17/h3-7,17-18H,1-2H3,(H,20,21,22)(H,23,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.93 | QSARToolbox | -2 » -3 |