Molecule ID: mol5401
SMILES: N[C@@H](Cc1c[nH]c(S)n1)C(=O)O
InChI: InChI=1S/C6H9N3O2S/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)(H2,8,9,12)/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.84 | IUPAC digitized pKa | 1 » 0 |
| 8.47 | IUPAC digitized pKa | 0 » -1 |
| 11.40 | IUPAC digitized pKa | -1 » -2 |