Molecule ID: mol9261
SMILES: O=c1[nH]cc(Cl)c(=O)[nH]1
InChI: InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.92 | AttenGpKa training set | 0 » -1 |
| 7.95 | IUPAC digitized pKa | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |