Molecule ID: mol6025

SMILES: CCN(CC)c1ccc(N)cc1

InChI: InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.38 AttenGpKa training set 2 » 1
7.96 OCHEM 1 » 0
8.00 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization