Molecule ID: mol18125
SMILES: COc1ccc(C(=O)O)cc1-c1ccc(C#CCO)s1
InChI: InChI=1S/C15H12O4S/c1-19-13-6-4-10(15(17)18)9-12(13)14-7-5-11(20-14)3-2-8-16/h4-7,9,16H,8H2,1H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | Baltruschat ChEMBL | 0 » -1 |