Molecule ID: mol19457

SMILES: CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccccc1

InChI: InChI=1S/C29H35N3O3/c1-4-34-26-16-22(17-27(35-5-2)28(26)23-9-7-6-8-10-23)20-32-13-11-25(12-14-32)31-29(33)24-15-21(3)18-30-19-24/h6-10,15-19,25H,4-5,11-14,20H2,1-3H3,(H,31,33)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization