Molecule ID: mol10807
SMILES: O=C(O)CCNC(=S)C(=S)NCCC(=O)O
InChI: InChI=1S/C8H12N2O4S2/c11-5(12)1-3-9-7(15)8(16)10-4-2-6(13)14/h1-4H2,(H,9,15)(H,10,16)(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.76 | IUPAC digitized pKa | -1 » -2 |
| 4.74 | IUPAC digitized pKa | 0 » -1 |
| 11.41 | IUPAC digitized pKa | -2 » -3 |
| 12.32 | IUPAC digitized pKa | -2 » -3 |
| 14.19 | IUPAC digitized pKa | -3 » -4 |