Molecule ID: mol1225
SMILES: O=C(O)Cc1ccccc1Cl
InChI: InChI=1S/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.07 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.07 | OCHEM | 0 » -1 |
| 4.07 | OCHEM | 0 » -1 |
| 4.07 | Hunt | 0 » -1 |
| 4.07 | OCHEM | 0 » -1 |
| 4.07 | AttenGpKa training set | 0 » -1 |
| 4.07 | QSARToolbox | 0 » -1 |
| 4.14 | QSARToolbox | 0 » -1 |
| 4.14 | QSARToolbox | 0 » -1 |