Molecule ID: mol16350

SMILES: COc1cc(C(C#N)N2CCCC2)cc(OC)c1OC

InChI: InChI=1S/C15H20N2O3/c1-18-13-8-11(9-14(19-2)15(13)20-3)12(10-16)17-6-4-5-7-17/h8-9,12H,4-7H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization