Molecule ID: mol24183

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

InChI: InChI=1S/C10H10N4O6S/c1-21(19,20)7-5-8(13(15)16)10(12-4-2-3-11)9(6-7)14(17)18/h5-6,12H,2,4H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-7.14 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization