Molecule ID: mol10301

SMILES: O=Nc1c(O)cc(S(=O)(=O)O)c2cn[nH]c12

InChI: InChI=1S/C7H5N3O5S/c11-4-1-5(16(13,14)15)3-2-8-9-6(3)7(4)10-12/h1-2,11H,(H,8,9)(H,13,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.85 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization