Molecule ID: mol2869

SMILES: COc1cccc(-c2cccc(CCC3(C)CC(=O)N(C)C(N)=N3)c2)c1

InChI: InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)

Experimental Macro pKa Values

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