Molecule ID: mol17861

SMILES: O=[N+]([O-])c1ccc(Nc2nc(Nc3cccc(F)c3)nc(Nc3cccc(F)c3)n2)cc1

InChI: InChI=1S/C21H15F2N7O2/c22-13-3-1-5-16(11-13)25-20-27-19(24-15-7-9-18(10-8-15)30(31)32)28-21(29-20)26-17-6-2-4-14(23)12-17/h1-12H,(H3,24,25,26,27,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization