Molecule ID: mol7578
SMILES: CC1(C)SCNC1C(=O)O
InChI: InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.60 | IUPAC digitized pKa | 1 » 0 |
| 6.34 | Datawarrior | 0 » -1 |
| 6.34 | QSARToolbox | 0 » -1 |
| 6.34 | OCHEM | 0 » -1 |