Molecule ID: mol12399

SMILES: C[n+]1cccc(S)c1

InChI: InChI=1S/C6H7NS/c1-7-4-2-3-6(8)5-7/h2-5H,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization