Molecule ID: mol16358

SMILES: COc1cc(C(C#N)N2CCCC2)ccc1O

InChI: InChI=1S/C13H16N2O2/c1-17-13-8-10(4-5-12(13)16)11(9-14)15-6-2-3-7-15/h4-5,8,11,16H,2-3,6-7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization