Molecule ID: mol27553

SMILES: OCCSC(=S)Nc1ccccc1

InChI: InChI=1S/C9H11NOS2/c11-6-7-13-9(12)10-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization