Molecule ID: mol16357

SMILES: COc1cc(C(C#N)N2CCCCC2)ccc1O

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization