Molecule ID: mol16522

SMILES: CN1Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4(N)CCOCC4)cc3)cc2C1=O

InChI: InChI=1S/C24H26N4O3/c1-28-15-19-7-6-18(13-21(19)22(28)29)17-4-2-16(3-5-17)12-20(14-25)27-23(30)24(26)8-10-31-11-9-24/h2-7,13,20H,8-12,15,26H2,1H3,(H,27,30)/t20-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.30 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization