Molecule ID: mol5343
SMILES: N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
InChI: InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.70 | IUPAC digitized pKa | 2 » 1 |
| 2.10 | QSARToolbox | 1 » 0 |
| 2.10 | QSARToolbox | 1 » 0 |
| 2.10 | IUPAC digitized pKa | 2 » 1 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 7.48 | IUPAC digitized pKa | -1 » -2 |
| 7.85 | QSARToolbox | 0 » -1 |
| 8.02 | IUPAC digitized pKa | -1 » -2 |
| 8.02 | QSARToolbox | 0 » -1 |
| 8.02 | QSARToolbox | 0 » -1 |
| 8.03 | IUPAC digitized pKa | -1 » -2 |
| 8.03 | IUPAC digitized pKa | -1 » -2 |
| 8.60 | QSARToolbox | 0 » -1 |
| 8.60 | QSARToolbox | 0 » -1 |
| 8.71 | IUPAC digitized pKa | 0 » -1 |
| 8.71 | QSARToolbox | 0 » -1 |
| 8.71 | QSARToolbox | 0 » -1 |
| 8.80 | IUPAC digitized pKa | 0 » -1 |
| 8.80 | IUPAC digitized pKa | 0 » -1 |
| 9.02 | IUPAC digitized pKa | 0 » -1 |