Molecule ID: mol16343

SMILES: COc1ccc(C(C#N)N2CCOCC2)cc1OC

InChI: InChI=1S/C14H18N2O3/c1-17-13-4-3-11(9-14(13)18-2)12(10-15)16-5-7-19-8-6-16/h3-4,9,12H,5-8H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization