Molecule ID: mol430
SMILES: O=C(NCCS)NCCS
InChI: InChI=1S/C5H12N2OS2/c8-5(6-1-3-9)7-2-4-10/h9-10H,1-4H2,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.26 | OCHEM | 0 » -1 |
| 9.26 | Hunt | 0 » -1 |
| 9.26 | AttenGpKa training set | 0 » -1 |
| 10.00 | AttenGpKa training set | 0 » -1 |