Molecule ID: mol5838

SMILES: CNCCC#N

InChI: InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.10 IUPAC digitized pKa 1 » 0
8.10 Datawarrior 1 » 0
8.10 QSARToolbox 1 » 0
8.10 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization