Molecule ID: mol8511
SMILES: NCCSC[C@H](N)C(=O)O
InChI: InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.22 | IUPAC digitized pKa | 1 » 0 |
| 8.37 | IUPAC digitized pKa | 1 » 0 |
| 9.52 | IUPAC digitized pKa | 0 » -1 |
| 9.52 | Baltruschat ChEMBL | 0 » -1 |
| 9.83 | IUPAC digitized pKa | 0 » -1 |