Molecule ID: mol4439

SMILES: CN1CC(S)=Cc2ccccc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization