Molecule ID: mol4409

SMILES: Cn1ccc(=S)c2ccccc21

InChI: InChI=1S/C10H9NS/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization