Molecule ID: mol2482
SMILES: O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21
InChI: InChI=1S/C14H8O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H,(H,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.38 | Hunt | 0 » -1 |
| 0.38 | QSARToolbox | 0 » -1 |
| 0.38 | QSARToolbox | 0 » -1 |
| 0.38 | QSARToolbox | 0 » -1 |
| 0.38 | OCHEM | 0 » -1 |