Molecule ID: mol20142

SMILES: CC(C)c1cc(C(=O)N2Cc3ccc(OCCN(C)C)cc3C2)c(O)cc1O

InChI: InChI=1S/C22H28N2O4/c1-14(2)18-10-19(21(26)11-20(18)25)22(27)24-12-15-5-6-17(9-16(15)13-24)28-8-7-23(3)4/h5-6,9-11,14,25-26H,7-8,12-13H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization