Molecule ID: mol20191

SMILES: c1cncc(Nc2c3ccccc3nc3ccccc23)c1

InChI: InChI=1S/C18H13N3/c1-3-9-16-14(7-1)18(20-13-6-5-11-19-12-13)15-8-2-4-10-17(15)21-16/h1-12H,(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization