Molecule ID: mol20572

SMILES: COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1

InChI: InChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization