Molecule ID: mol16053

SMILES: O=C(NOCCO)c1ncc2cncn2c1Nc1ccc(I)cc1F

InChI: InChI=1S/C15H13FIN5O3/c16-11-5-9(17)1-2-12(11)20-14-13(15(24)21-25-4-3-23)19-7-10-6-18-8-22(10)14/h1-2,5-8,20,23H,3-4H2,(H,21,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.03 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization