Molecule ID: mol13642
SMILES: O=C(O)c1cnc(Cl)s1
InChI: InChI=1S/C4H2ClNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | Datawarrior | 0 » -1 |
| 3.00 | OCHEM | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.00 | AttenGpKa training set | 0 » -1 |