Molecule ID: mol10532
SMILES: Cc1cc(C(=O)O)ccc1Cl
InChI: InChI=1S/C8H7ClO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.07 | Datawarrior | 0 » -1 |
| 4.07 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.07 | OCHEM | 0 » -1 |
| 4.07 | AttenGpKa training set | 0 » -1 |
| 4.07 | QSARToolbox | 0 » -1 |
| 4.07 | OCHEM | 0 » -1 |
| 4.70 | QSARToolbox | 0 » -1 |