Molecule ID: mol32192
SMILES: NC(Cc1snc(O)c1Br)C(=O)O
InChI: InChI=1S/C6H7BrN2O3S/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.64 | OCHEM | 1 » 0 |
| 5.35 | OCHEM | 0 » -1 |
| 8.77 | OCHEM | -1 » -2 |