Molecule ID: mol14604
SMILES: O=C1C=C(S(=O)(=O)O)c2[nH]ncc2C1=NO
InChI: InChI=1S/C7H5N3O5S/c11-4-1-5(16(13,14)15)7-3(2-8-9-7)6(4)10-12/h1-2,12H,(H,8,9)(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.75 | Datawarrior | -1 » -2 |
| 7.75 | OCHEM | -1 » -2 |
| 7.75 | QSARToolbox | -1 » -2 |