Molecule ID: mol16426

SMILES: NC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1

InChI: InChI=1S/C16H15ClFN3O3/c17-12-13-9(3-11(18)14(12)20-4-7(19)5-20)15(22)10(16(23)24)6-21(13)8-1-2-8/h3,6-8H,1-2,4-5,19H2,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization