Molecule ID: mol24114

SMILES: CNc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]

InChI: InChI=1S/C8H9N3O6S/c1-9-8-6(10(12)13)3-5(18(2,16)17)4-7(8)11(14)15/h3-4,9H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-5.61 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization