Molecule ID: mol6531

SMILES: CSc1ccc([N+](=O)[O-])cn1

InChI: InChI=1S/C6H6N2O2S/c1-11-6-3-2-5(4-7-6)8(9)10/h2-4H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.29 OCHEM 1 » 0
-0.29 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization