Molecule ID: mol20828

SMILES: Cc1cc(C)c(C)c(Nc2ccccc2CC(=O)O)c1C

InChI: InChI=1S/C18H21NO2/c1-11-9-12(2)14(4)18(13(11)3)19-16-8-6-5-7-15(16)10-17(20)21/h5-9,19H,10H2,1-4H3,(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization