Molecule ID: mol16341

SMILES: COc1ccc(C(C#N)N2CCCCC2)cc1OC

InChI: InChI=1S/C15H20N2O2/c1-18-14-7-6-12(10-15(14)19-2)13(11-16)17-8-4-3-5-9-17/h6-7,10,13H,3-5,8-9H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization