Molecule ID: mol37682

SMILES: CNCC(CCC#N)Cc1ccccc1

InChI: InChI=1S/C13H18N2/c1-15-11-13(8-5-9-14)10-12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8,10-11H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.95 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization