Molecule ID: mol2982

SMILES: O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ncccn2)CC1

InChI: InChI=1S/C16H16ClFN4O/c17-13-10-12(2-3-14(13)18)21-15(23)11-4-8-22(9-5-11)16-19-6-1-7-20-16/h1-3,6-7,10-11H,4-5,8-9H2,(H,21,23)

Experimental Macro pKa Values

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