Molecule ID: mol13313

SMILES: N#Cc1ccc(CC(C#N)C#N)cc1

InChI: InChI=1S/C11H7N3/c12-6-10-3-1-9(2-4-10)5-11(7-13)8-14/h1-4,11H,5H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.96 Datawarrior 0 » -1
10.96 OCHEM 0 » -1
10.96 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization