Molecule ID: mol24943

SMILES: N#CC(C#N)=C(N)/C(C#N)=N/Nc1ccc(Br)cc1

InChI: InChI=1S/C12H7BrN6/c13-9-1-3-10(4-2-9)18-19-11(7-16)12(17)8(5-14)6-15/h1-4,18H,17H2/b19-11+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.39 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization