Molecule ID: mol1003
SMILES: Nc1ccc(Cl)cc1[N+](=O)[O-]
InChI: InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.60 | QSARToolbox | 1 » 0 |
| -1.20 | QSARToolbox | 1 » 0 |
| -1.11 | QSARToolbox | 1 » 0 |
| -1.11 | IUPAC digitized pKa | 1 » 0 |
| -1.11 | IUPAC digitized pKa | 1 » 0 |
| -1.10 | OCHEM | 1 » 0 |
| -1.10 | OCHEM | 1 » 0 |
| -1.06 | OCHEM | 1 » 0 |
| -1.03 | IUPAC digitized pKa | 1 » 0 |
| -1.02 | IUPAC digitized pKa | 1 » 0 |
| -1.02 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -1.02 | OCHEM | 1 » 0 |
| -1.02 | OCHEM | 1 » 0 |
| -1.02 | Hunt | 1 » 0 |
| -1.02 | OCHEM | 1 » 0 |
| -1.01 | IUPAC digitized pKa | 1 » 0 |
| -0.98 | IUPAC digitized pKa | 1 » 0 |
| -0.97 | AttenGpKa training set | 1 » 0 |
| -0.88 | Datawarrior | 1 » 0 |
| -0.88 | OCHEM | 1 » 0 |
| -0.46 | IUPAC digitized pKa | 1 » 0 |