Molecule ID: mol12805

SMILES: C[n+]1cc(S)cc2ccccc21

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.40 Datawarrior 1 » 0
2.40 AttenGpKa training set 1 » 0
2.40 QSARToolbox 1 » 0
2.40 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization