Molecule ID: mol17309
SMILES: CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
InChI: InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | Baltruschat ChEMBL | 0 » -1 |
| 7.20 | AttenGpKa training set | 0 » -1 |
| 7.40 | OCHEM | 0 » -1 |
| 7.40 | Baltruschat ChEMBL | 0 » -1 |