Molecule ID: mol207

SMILES: CN(C)CCCC#N

InChI: InChI=1S/C6H12N2/c1-8(2)6-4-3-5-7/h3-4,6H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.70 OCHEM 1 » 0
8.70 AvLiLuMoVe 1 » 0
8.70 Settimo 1 » 0
8.70 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization