Molecule ID: mol4441

SMILES: CN1CC=Cc2cc(S)ccc21

InChI: InChI=1S/C10H11NS/c1-11-6-2-3-8-7-9(12)4-5-10(8)11/h2-5,7,12H,6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization