Molecule ID: mol1930
SMILES: O=C(O)CCI
InChI: InChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.08 | OCHEM | 0 » -1 |
| 4.08 | OCHEM | 0 » -1 |
| 4.09 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | Hunt | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |
| 4.09 | AttenGpKa training set | 0 » -1 |
| 4.90 | QSARToolbox | 0 » -1 |