Molecule ID: mol24078

SMILES: CS(=O)(=O)c1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1

InChI: InChI=1S/C7H7N3O6S/c1-17(15,16)4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,8H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-9.75 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization