Molecule ID: mol2802

SMILES: CC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)C1

InChI: InChI=1S/C18H20ClN3O/c1-13-3-2-10-22(12-13)18(23)14-4-9-17(20-11-14)21-16-7-5-15(19)6-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,20,21)

Experimental Macro pKa Values

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