Molecule ID: mol10378
SMILES: CSCCC(NC(=O)CN)C(=O)O
InChI: InChI=1S/C7H14N2O3S/c1-13-3-2-5(7(11)12)9-6(10)4-8/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.16 | IUPAC digitized pKa | 1 » 0 |
| 7.81 | QSARToolbox | 0 » -1 |
| 8.51 | IUPAC digitized pKa | 0 » -1 |