Molecule ID: mol1005
SMILES: Nc1cc(Cl)ccc1[N+](=O)[O-]
InChI: InChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.60 | IUPAC digitized pKa | 1 » 0 |
| -1.54 | IUPAC digitized pKa | 1 » 0 |
| -1.52 | IUPAC digitized pKa | 1 » 0 |
| -1.52 | OCHEM | 1 » 0 |
| -1.52 | Hunt | 1 » 0 |
| -1.52 | OCHEM | 1 » 0 |
| -1.52 | OCHEM | 1 » 0 |
| -1.52 | QSARToolbox | 1 » 0 |
| -1.51 | AttenGpKa training set | 1 » 0 |
| -1.50 | IUPAC digitized pKa | 1 » 0 |
| -1.48 | IUPAC digitized pKa | 1 » 0 |
| -1.45 | IUPAC digitized pKa | 1 » 0 |