Molecule ID: mol14603
SMILES: O=C1C(=NO)C=C(S(=O)(=O)O)c2cn[nH]c21
InChI: InChI=1S/C7H5N3O5S/c11-7-4(10-12)1-5(16(13,14)15)3-2-8-9-6(3)7/h1-2,12H,(H,8,9)(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.35 | OCHEM | -1 » -2 |
| 6.35 | QSARToolbox | -1 » -2 |
| 6.35 | Datawarrior | -1 » -2 |