Molecule ID: mol16427

SMILES: CNC1(C)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

InChI: InChI=1S/C18H20FN3O3/c1-18(20-2)8-21(9-18)15-6-14-11(5-13(15)19)16(23)12(17(24)25)7-22(14)10-3-4-10/h5-7,10,20H,3-4,8-9H2,1-2H3,(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization