Molecule ID: mol11024
SMILES: COc1ccc(SCC(=O)O)cc1
InChI: InChI=1S/C9H10O3S/c1-12-7-2-4-8(5-3-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | IUPAC digitized pKa | 0 » -1 |
| 3.66 | AttenGpKa training set | 0 » -1 |
| 3.70 | IUPAC digitized pKa | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |
| 3.77 | QSARToolbox | 0 » -1 |
| 3.77 | QSARToolbox | 0 » -1 |