Molecule ID: mol16416

SMILES: CNC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

InChI: InChI=1S/C17H18FN3O3/c1-19-9-6-20(7-9)15-5-14-11(4-13(15)18)16(22)12(17(23)24)8-21(14)10-2-3-10/h4-5,8-10,19H,2-3,6-7H2,1H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization