Molecule ID: mol4440

SMILES: CN1CC=Cc2c(S)cccc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization