Molecule ID: mol13220

SMILES: N#CC(C#N)=NNc1ccccc1Br

InChI: InChI=1S/C9H5BrN4/c10-8-3-1-2-4-9(8)14-13-7(5-11)6-12/h1-4,14H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization