Molecule ID: mol14274

SMILES: CN(C)c1ncc([N+](=O)[O-])s1

InChI: InChI=1S/C5H7N3O2S/c1-7(2)5-6-3-4(11-5)8(9)10/h3H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization