Molecule ID: mol2916

SMILES: Cc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)cn1

InChI: InChI=1S/C17H19ClN4O/c1-12-5-6-14(11-19-12)21-16-15(18)9-13(10-20-16)17(23)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21)

Experimental Macro pKa Values

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