Molecule ID: mol2782

SMILES: CC(=O)n1cc(C2=C(O)CC(C)(C)CC2=O)c2ccccc21

InChI: InChI=1S/C18H19NO3/c1-11(20)19-10-13(12-6-4-5-7-14(12)19)17-15(21)8-18(2,3)9-16(17)22/h4-7,10,21H,8-9H2,1-3H3

Experimental Macro pKa Values

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