Molecule ID: mol15868

SMILES: N#CC(Br)C#N

InChI: InChI=1S/C3HBrN2/c4-3(1-5)2-6/h3H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.00 Datawarrior 0 » -1
5.00 OCHEM 0 » -1
5.00 QSARToolbox 0 » -1
5.00 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization