Molecule ID: mol8465
SMILES: Nc1ccc(C(=O)O)c(Cl)c1
InChI: InChI=1S/C7H6ClNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.43 | IUPAC digitized pKa | 1 » 0 |
| 1.58 | AttenGpKa training set | 1 » 0 |
| 3.88 | OCHEM | 0 » -1 |
| 3.88 | Baltruschat ChEMBL | 0 » -1 |
| 3.93 | IUPAC digitized pKa | 0 » -1 |
| 3.93 | OCHEM | 0 » -1 |
| 3.93 | Baltruschat ChEMBL | 0 » -1 |
| 4.13 | AttenGpKa training set | 0 » -1 |