Molecule ID: mol9757
SMILES: O=C(O)[C@@H]1CC[C@H](C(=O)O)[Se]1
InChI: InChI=1S/C6H8O4Se/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.24 | IUPAC digitized pKa | 0 » -1 |
| 3.55 | QSARToolbox | -1 » -2 |
| 3.55 | Datawarrior | -1 » -2 |
| 4.47 | IUPAC digitized pKa | -1 » -2 |
| 4.55 | Datawarrior | -1 » -2 |
| 4.56 | QSARToolbox | -1 » -2 |