Molecule ID: mol12083
SMILES: O=C(O)C(SC(C(=O)O)c1ccccc1)c1ccccc1
InChI: InChI=1S/C16H14O4S/c17-15(18)13(11-7-3-1-4-8-11)21-14(16(19)20)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18)(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.61 | IUPAC digitized pKa | 0 » -1 |
| 4.22 | IUPAC digitized pKa | -1 » -2 |