Molecule ID: mol16425

SMILES: CN(C)C1(C)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

InChI: InChI=1S/C19H22FN3O3/c1-19(21(2)3)9-22(10-19)16-7-15-12(6-14(16)20)17(24)13(18(25)26)8-23(15)11-4-5-11/h6-8,11H,4-5,9-10H2,1-3H3,(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization