Molecule ID: mol27561

SMILES: CCCSC(=S)NCc1ccccc1

InChI: InChI=1S/C11H15NS2/c1-2-8-14-11(13)12-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization