Molecule ID: mol2161
SMILES: O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)O
InChI: InChI=1S/C14H8O5S/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19/h1-7H,(H,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.27 | Hunt | 0 » -1 |
| 0.27 | OCHEM | 0 » -1 |
| 0.27 | QSARToolbox | 0 » -1 |
| 0.27 | QSARToolbox | 0 » -1 |