Molecule ID: mol2933

SMILES: Cc1nc2ccccn2c1C(=O)NCc1ccc(Cl)cc1

InChI: InChI=1S/C16H14ClN3O/c1-11-15(20-9-3-2-4-14(20)19-11)16(21)18-10-12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,18,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.10 Novartis 1 » 0
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Charge States and Microspecies Visualization