Molecule ID: mol6059

SMILES: CSc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1

InChI: InChI=1S/C7H7N3O4S/c1-15-4-2-5(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
-4.46 QSARToolbox 1 » 0
-4.46 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization