Molecule ID: mol16342

SMILES: COc1ccc(C(C#N)N2CCCC2)cc1OC

InChI: InChI=1S/C14H18N2O2/c1-17-13-6-5-11(9-14(13)18-2)12(10-15)16-7-3-4-8-16/h5-6,9,12H,3-4,7-8H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.30 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization