Molecule ID: mol37630
SMILES: O=C(O)[C@H](c1ccccc1)S(=O)(=O)CCS(=O)(=O)[C@@H](C(=O)O)c1ccccc1
InChI: InChI=1S/C18H18O8S2/c19-17(20)15(13-7-3-1-4-8-13)27(23,24)11-12-28(25,26)16(18(21)22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)/t15-,16+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.65 | QSARToolbox | 0 » -1 |