Molecule ID: mol2826

SMILES: CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(CN4CCOCC4)cc1c32

InChI: InChI=1S/C25H25ClN4O4/c1-28-21-11-17(13-29-6-8-34-9-7-29)10-19-23(21)30(15-22(28)31)14-20(24(19)32)25(33)27-12-16-2-4-18(26)5-3-16/h2-5,10-11,14H,6-9,12-13,15H2,1H3,(H,27,33)

Experimental Macro pKa Values

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