Molecule ID: mol2907

SMILES: Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1

InChI: InChI=1S/C32H36N2O2/c1-23-6-10-26(11-7-23)27-13-12-25-4-3-5-28(21-29(25)20-27)32(35)33-30-14-8-24(9-15-30)22-34(2)31-16-18-36-19-17-31/h6-15,20-21,31H,3-5,16-19,22H2,1-2H3,(H,33,35)

Experimental Macro pKa Values

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