Molecule ID: mol18108

SMILES: NCCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21

InChI: InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21-10-16(23)22(15)8-7-20/h1-6,9H,7-8,10,20H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization