Molecule ID: mol9263
SMILES: O=c1[nH]cc(F)c(=O)[nH]1
InChI: InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.84 | QSARToolbox | 0 » -1 |
| 8.00 | IUPAC digitized pKa | 0 » -1 |
| 8.00 | OCHEM | 0 » -1 |
| 8.00 | OCHEM | 0 » -1 |
| 8.00 | Baltruschat ChEMBL | 0 » -1 |
| 8.02 | OCHEM | 0 » -1 |
| 8.04 | IUPAC digitized pKa | 0 » -1 |
| 8.04 | AttenGpKa training set | 0 » -1 |
| 10.93 | QSARToolbox | -1 » -2 |
| 13.00 | AttenGpKa training set | -1 » -2 |