Molecule ID: mol22720
SMILES: Nc1ccc(Cl)c(C(=O)O)c1
InChI: InChI=1S/C7H6ClNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.94 | AttenGpKa training set | 1 » 0 |
| 4.12 | AttenGpKa training set | 0 » -1 |