Molecule ID: mol3229

SMILES: CCN=CC=CC=CNCC

InChI: InChI=1S/C9H16N2/c1-3-10-8-6-5-7-9-11-4-2/h5-10H,3-4H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization