Molecule ID: mol33067
SMILES: NC(Cc1ccccc1Cl)C(=O)O
InChI: InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.23 | OCHEM | 1 » 0 |
| 2.23 | QSARToolbox | 1 » 0 |
| 2.23 | QSARToolbox | 1 » 0 |
| 8.94 | QSARToolbox | 0 » -1 |
| 8.94 | OCHEM | 0 » -1 |