Molecule ID: mol2774

SMILES: CC(=C(C#N)C#N)c1ccc2cc(N(C)CCF)ccc2c1

InChI: InChI=1S/C18H16FN3/c1-13(17(11-20)12-21)14-3-4-16-10-18(22(2)8-7-19)6-5-15(16)9-14/h3-6,9-10H,7-8H2,1-2H3

Experimental Macro pKa Values

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