Molecule ID: mol33669

SMILES: COC1=CC=C(S)[N+]=N1

InChI: InChI=1S/C5H6N2OS/c1-8-4-2-3-5(9)7-6-4/h2-3,9H,1H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.36 OCHEM 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization