Molecule ID: mol12400

SMILES: C[n+]1ccccc1S

InChI: InChI=1S/C6H7NS/c1-7-5-3-2-4-6(7)8/h2-5H,1H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.62 AttenGpKa training set 1 » 0
-1.42 Datawarrior 1 » 0
-1.42 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization