Molecule ID: mol7509

SMILES: CSc1ncc([N+](=O)[O-])cn1

InChI: InChI=1S/C5H5N3O2S/c1-11-5-6-2-4(3-7-5)8(9)10/h2-3H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.95 OCHEM 1 » 0
-2.65 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization