Molecule ID: mol12455

SMILES: CNCC(C)CNC

InChI: InChI=1S/C6H16N2/c1-6(4-7-2)5-8-3/h6-8H,4-5H2,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.29 QSARToolbox 2 » 1
8.29 Datawarrior 2 » 1
10.55 Datawarrior 2 » 1
10.55 OCHEM 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization