Molecule ID: mol18076

SMILES: CCOc1ccccc1C[C@H](c1ccccc1)N1CCNCC1

InChI: InChI=1S/C20H26N2O/c1-2-23-20-11-7-6-10-18(20)16-19(17-8-4-3-5-9-17)22-14-12-21-13-15-22/h3-11,19,21H,2,12-16H2,1H3/t19-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.00 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization