Molecule ID: mol9871
SMILES: O=C(O)Cc1ccc(Cl)s1
InChI: InChI=1S/C6H5ClO2S/c7-5-2-1-4(10-5)3-6(8)9/h1-2H,3H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.89 | IUPAC digitized pKa | 0 » -1 |
| 3.89 | Datawarrior | 0 » -1 |
| 3.89 | OCHEM | 0 » -1 |
| 3.89 | QSARToolbox | 0 » -1 |
| 3.89 | QSARToolbox | 0 » -1 |