Molecule ID: mol2772

SMILES: C=CCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C

InChI: InChI=1S/C23H27N3O/c1-6-13-24-19-11-12-21-20(14-19)22(25-23(27)26(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h6-12,14-16,24H,1,13H2,2-5H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.90 Novartis 2 » 1
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Charge States and Microspecies Visualization