Molecule ID: mol5993

SMILES: Nc1ccc(C23CCCCC2C3)cc1

InChI: InChI=1S/C13H17N/c14-12-6-4-10(5-7-12)13-8-2-1-3-11(13)9-13/h4-7,11H,1-3,8-9,14H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization