Molecule ID: mol18965

SMILES: Nc1ccn(C2CC(F)C(CO)O2)c(=O)n1

InChI: InChI=1S/C9H12FN3O3/c10-5-3-8(16-6(5)4-14)13-2-1-7(11)12-9(13)15/h1-2,5-6,8,14H,3-4H2,(H2,11,12,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization