Molecule ID: mol1657
SMILES: Nc1ccc([N+](=O)[O-])cc1Cl
InChI: InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.94 | IUPAC digitized pKa | 1 » 0 |
| -0.94 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -0.94 | OCHEM | 1 » 0 |
| -0.94 | OCHEM | 1 » 0 |
| -0.94 | Hunt | 1 » 0 |
| -0.94 | OCHEM | 1 » 0 |
| -0.94 | OCHEM | 1 » 0 |
| -0.94 | OCHEM | 1 » 0 |
| -0.94 | QSARToolbox | 1 » 0 |
| -0.90 | AttenGpKa training set | 1 » 0 |