Molecule ID: mol13873

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

InChI: InChI=1S/C10H7ClN2/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9H,5H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization