Molecule ID: mol218

SMILES: CN(C)CCCCC#N

InChI: InChI=1S/C7H14N2/c1-9(2)7-5-3-4-6-8/h3-5,7H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization