Molecule ID: mol35509

SMILES: N/C(O)=N/N=C1/C(=O)Nc2ccc(S(=O)(=O)O)cc21

InChI: InChI=1S/C9H8N4O5S/c10-9(15)13-12-7-5-3-4(19(16,17)18)1-2-6(5)11-8(7)14/h1-3H,(H3,10,13,15)(H,11,12,14)(H,16,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.85 QSARToolbox -1 » -2
10.29 QSARToolbox -2 » -3
12.30 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization