Molecule ID: mol8452
SMILES: Nc1ccc(Cl)cc1C(=O)O
InChI: InChI=1S/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.69 | IUPAC digitized pKa | 1 » 0 |
| 1.69 | IUPAC digitized pKa | 1 » 0 |
| 1.69 | AttenGpKa training set | 1 » 0 |
| 4.35 | IUPAC digitized pKa | 0 » -1 |
| 4.35 | IUPAC digitized pKa | 0 » -1 |