Molecule ID: mol9452
SMILES: O=C(O)CCCCS(=O)(=O)O
InChI: InChI=1S/C5H10O5S/c6-5(7)3-1-2-4-11(8,9)10/h1-4H2,(H,6,7)(H,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.04 | IUPAC digitized pKa | -1 » -2 |
| 5.04 | AttenGpKa training set | -1 » -2 |