Molecule ID: mol37054

SMILES: c1cc(CC[N+]23CCC(CC2)CC3)ccn1

InChI: InChI=1S/C14H21N2/c1-7-15-8-2-13(1)3-9-16-10-4-14(5-11-16)6-12-16/h1-2,7-8,14H,3-6,9-12H2/q+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.85 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization