Molecule ID: mol20767

SMILES: COc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1

InChI: InChI=1S/C21H22N2O/c1-24-18-7-8-21-19(13-18)20(14-22-21)17-9-11-23(12-10-17)15-16-5-3-2-4-6-16/h2-9,13-14,22H,10-12,15H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization