Molecule ID: mol35510
SMILES: N/C(S)=N/N=C1/C(=O)Nc2ccc(S(=O)(=O)O)cc21
InChI: InChI=1S/C9H8N4O4S2/c10-9(18)13-12-7-5-3-4(19(15,16)17)1-2-6(5)11-8(7)14/h1-3H,(H3,10,13,18)(H,11,12,14)(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.41 | QSARToolbox | -1 » -2 |
| 9.92 | QSARToolbox | -1 » -2 |
| 12.20 | QSARToolbox | -2 » -3 |