Molecule ID: mol20691

SMILES: CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(CO)CO)C4)no2)cc1C#N

InChI: InChI=1S/C24H26N4O4/c1-15(2)31-22-6-5-18(10-20(22)11-25)24-26-23(27-32-24)17-3-4-19-12-28(21(13-29)14-30)8-7-16(19)9-17/h3-6,9-10,15,21,29-30H,7-8,12-14H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.28 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization