Molecule ID: mol6526

SMILES: C[S+]([O-])c1ccccn1

InChI: InChI=1S/C6H7NOS/c1-9(8)6-4-2-3-5-7-6/h2-5H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.16 IUPAC digitized pKa 1 » 0
-0.16 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization