Molecule ID: mol18381

SMILES: Cc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCC3)cn2)c1

InChI: InChI=1S/C21H27N3O/c1-14(2)18-11-20(24-17-9-4-6-15(3)10-17)22-13-19(18)21(25)23-12-16-7-5-8-16/h4,6,9-11,13-14,16H,5,7-8,12H2,1-3H3,(H,22,24)(H,23,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization