Molecule ID: mol6780

SMILES: C[S+]([O-])c1cnccn1

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.48 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization