Molecule ID: mol13030

SMILES: CNC(=S)c1ccccc1

InChI: InChI=1S/C8H9NS/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.61 AttenGpKa training set 1 » 0
-2.50 Datawarrior 1 » 0
-2.50 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization