Molecule ID: mol2797

SMILES: CC(C)N(CCc1c(C(C)(C)O)[nH]c2ccccc12)Cc1ccc(CCC(=O)N=O)cc1

InChI: InChI=1S/C26H33N3O3/c1-18(2)29(17-20-11-9-19(10-12-20)13-14-24(30)28-32)16-15-22-21-7-5-6-8-23(21)27-25(22)26(3,4)31/h5-12,18,27,31H,13-17H2,1-4H3

Experimental Macro pKa Values

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