Molecule ID: mol25809

SMILES: CSc1nc(O)c([N+](=O)[O-])c(O)n1

InChI: InChI=1S/C5H5N3O4S/c1-13-5-6-3(9)2(8(11)12)4(10)7-5/h1H3,(H2,6,7,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.00 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization