Molecule ID: mol34729
SMILES: CC(=O)Nc1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c43
InChI: InChI=1S/C18H13NO10S3/c1-8(20)19-13-6-14(30(21,22)23)10-4-5-12-16(32(27,28)29)7-15(31(24,25)26)11-3-2-9(13)17(10)18(11)12/h2-7H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 13.90 | QSARToolbox | -3 » -4 |