Molecule ID: mol14602
SMILES: O=C1C=C(S(=O)(=O)O)c2cn[nH]c2C1=NO
InChI: InChI=1S/C7H5N3O5S/c11-4-1-5(16(13,14)15)3-2-8-9-6(3)7(4)10-12/h1-2,12H,(H,8,9)(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.85 | OCHEM | 1 » 0 |
| 5.85 | QSARToolbox | 1 » 0 |
| 5.85 | Datawarrior | 1 » 0 |