Molecule ID: mol14605
SMILES: O=C1C=C(S(=O)(=O)O)C(=NO)c2cn[nH]c21
InChI: InChI=1S/C7H5N3O5S/c11-4-1-5(16(13,14)15)7(10-12)3-2-8-9-6(3)4/h1-2,12H,(H,8,9)(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | Datawarrior | -1 » -2 |
| 8.60 | QSARToolbox | -1 » -2 |
| 8.60 | OCHEM | -1 » -2 |