Molecule ID: mol34448
SMILES: CC1=CC(=O)C(C(C)C)=C/C1=C(\c1cc(C(C)C)c(O)cc1C)c1ccccc1S(=O)(=O)O
InChI: InChI=1S/C27H30O5S/c1-15(2)20-13-22(17(5)11-24(20)28)27(19-9-7-8-10-26(19)33(30,31)32)23-14-21(16(3)4)25(29)12-18(23)6/h7-16,28H,1-6H3,(H,30,31,32)/b27-23+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.13 | QSARToolbox | -1 » -2 |