Molecule ID: mol16182

SMILES: O=C(c1ccc(Br)cc1)C1CN=C2C=CC=CN2C1

InChI: InChI=1S/C15H13BrN2O/c16-13-6-4-11(5-7-13)15(19)12-9-17-14-3-1-2-8-18(14)10-12/h1-8,12H,9-10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization