Molecule ID: mol8916
SMILES: O=[N+]([O-])C(Cl)Cl
InChI: InChI=1S/CHCl2NO2/c2-1(3)4(5)6/h1H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.98 | IUPAC digitized pKa | 0 » -1 |
| 5.99 | QSARToolbox | 0 » -1 |
| 5.99 | QSARToolbox | 0 » -1 |
| 5.99 | IUPAC digitized pKa | 0 » -1 |
| 5.99 | AttenGpKa training set | 0 » -1 |