Molecule ID: mol15848
SMILES: CC(I)C(=O)O
InChI: InChI=1S/C3H5IO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.11 | QSARToolbox | 0 » -1 |
| 3.11 | QSARToolbox | 0 » -1 |
| 3.11 | OCHEM | 0 » -1 |
| 3.16 | AttenGpKa training set | 0 » -1 |
| 3.21 | Datawarrior | 0 » -1 |
| 3.21 | OCHEM | 0 » -1 |
| 3.21 | QSARToolbox | 0 » -1 |