Molecule ID: mol11944
SMILES: O=C1c2ccccc2C(=O)c2c(O)c(S(=O)(=O)O)cc(O)c21
InChI: InChI=1S/C14H8O7S/c15-8-5-9(22(19,20)21)14(18)11-10(8)12(16)6-3-1-2-4-7(6)13(11)17/h1-5,15,18H,(H,19,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.73 | IUPAC digitized pKa | -1 » -2 |
| 8.70 | IUPAC digitized pKa | -2 » -3 |
| 9.68 | IUPAC digitized pKa | -2 » -3 |