Molecule ID: mol34946
SMILES: CC1=C/C(=C(/c2ccc(O)c(C)c2)c2ccccc2S(=O)(=O)O)C=CC1=O
InChI: InChI=1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26/h3-12,22H,1-2H3,(H,24,25,26)/b21-16-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.19 | QSARToolbox | -1 » -2 |