Molecule ID: mol16349

SMILES: COc1cc(C(C#N)N2CCCCC2)cc(OC)c1OC

InChI: InChI=1S/C16H22N2O3/c1-19-14-9-12(10-15(20-2)16(14)21-3)13(11-17)18-7-5-4-6-8-18/h9-10,13H,4-8H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization