Molecule ID: mol12580

SMILES: CN(C)c1ccc(SC#N)cc1

InChI: InChI=1S/C9H10N2S/c1-11(2)8-3-5-9(6-4-8)12-7-10/h3-6H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization