Molecule ID: mol20248

SMILES: CC(C)Nc1ncc(-c2nc(-c3ccc4c(c3)CCN(C(CO)CO)CC4)no2)cc1C#N

InChI: InChI=1S/C24H28N6O3/c1-15(2)27-22-19(11-25)10-20(12-26-22)24-28-23(29-33-24)18-4-3-16-5-7-30(21(13-31)14-32)8-6-17(16)9-18/h3-4,9-10,12,15,21,31-32H,5-8,13-14H2,1-2H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization