Molecule ID: mol20573

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

InChI: InChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)24-14-12-23(13-15-24)11-10-22-21(25)18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization