Molecule ID: mol16405

SMILES: Nc1c(F)c(N2CC(N)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

InChI: InChI=1S/C16H16F2N4O3/c17-10-12(20)9-13(11(18)14(10)21-3-6(19)4-21)22(7-1-2-7)5-8(15(9)23)16(24)25/h5-7H,1-4,19-20H2,(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization