Molecule ID: mol1990
SMILES: O=C(CCl)NO
InChI: InChI=1S/C2H4ClNO2/c3-1-2(5)4-6/h6H,1H2,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.73 | QSARToolbox | 0 » -1 |
| 8.40 | QSARToolbox | 0 » -1 |
| 8.40 | OCHEM | 0 » -1 |
| 8.40 | Hunt | 0 » -1 |
| 8.40 | AttenGpKa training set | 0 » -1 |
| 8.42 | QSARToolbox | 0 » -1 |
| 8.52 | QSARToolbox | 0 » -1 |
| 8.52 | QSARToolbox | 0 » -1 |
| 8.53 | QSARToolbox | 0 » -1 |