Molecule ID: mol14606
SMILES: O=C1C=C(S(=O)(=O)O)C(=NO)c2[nH]ncc21
InChI: InChI=1S/C7H5N3O5S/c11-4-1-5(16(13,14)15)7(10-12)6-3(4)2-8-9-6/h1-2,12H,(H,8,9)(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.15 | Datawarrior | -1 » -2 |
| 7.15 | QSARToolbox | -1 » -2 |
| 7.15 | OCHEM | -1 » -2 |