Molecule ID: mol8467
SMILES: Nc1cc(Cl)c(C(=O)O)c(Cl)c1
InChI: InChI=1S/C7H5Cl2NO2/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2H,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.76 | IUPAC digitized pKa | 1 » 0 |
| 0.91 | AttenGpKa training set | 1 » 0 |
| 2.76 | IUPAC digitized pKa | 0 » -1 |
| 2.96 | AttenGpKa training set | 0 » -1 |