Molecule ID: mol9795
SMILES: O=C(O)CCSSCCC(=O)O
InChI: InChI=1S/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.88 | IUPAC digitized pKa | 0 » -1 |
| 3.90 | AttenGpKa training set | 0 » -1 |
| 4.02 | IUPAC digitized pKa | 0 » -1 |
| 4.47 | IUPAC digitized pKa | 0 » -1 |
| 4.60 | AttenGpKa training set | 0 » -1 |
| 4.77 | IUPAC digitized pKa | 0 » -1 |