Molecule ID: mol1004
SMILES: Nc1ccc(Cl)c([N+](=O)[O-])c1
InChI: InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | QSARToolbox | 1 » 0 |
| 1.90 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 1.90 | OCHEM | 1 » 0 |
| 1.90 | Hunt | 1 » 0 |
| 1.90 | OCHEM | 1 » 0 |
| 1.90 | OCHEM | 1 » 0 |
| 1.93 | IUPAC digitized pKa | 1 » 0 |
| 2.10 | AttenGpKa training set | 1 » 0 |