Molecule ID: mol21736
SMILES: Nc1cc(Cl)cc(C(=O)O)c1Cl
InChI: InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |
| 3.40 | AttenGpKa training set | 0 » -1 |