Molecule ID: mol13539

SMILES: ClC1CC2CCN1CC2

InChI: InChI=1S/C7H12ClN/c8-7-5-6-1-3-9(7)4-2-6/h6-7H,1-5H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.98 Datawarrior 1 » 0
6.98 OCHEM 1 » 0
6.98 AttenGpKa training set 1 » 0
6.98 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization