Molecule ID: mol20206

SMILES: CNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C20H17N3/c1-21-14-10-12-15(13-11-14)22-20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13,21H,1H3,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization