Molecule ID: mol15727

SMILES: CCn1cc(C#N)c(=O)c2ccccc21

InChI: InChI=1S/C12H10N2O/c1-2-14-8-9(7-13)12(15)10-5-3-4-6-11(10)14/h3-6,8H,2H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.55 Datawarrior 1 » 0
-1.55 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization