Molecule ID: mol17474

SMILES: COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1

InChI: InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization