Molecule ID: mol8922
SMILES: O=[N+]([O-])CCl
InChI: InChI=1S/CH2ClNO2/c2-1-3(4)5/h1H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.16 | QSARToolbox | 0 » -1 |
| 7.16 | IUPAC digitized pKa | 0 » -1 |
| 7.20 | QSARToolbox | 0 » -1 |
| 7.20 | QSARToolbox | 0 » -1 |
| 7.20 | IUPAC digitized pKa | 0 » -1 |
| 7.20 | AttenGpKa training set | 0 » -1 |