Molecule ID: mol20307

SMILES: Cc1cnc(NCC2(c3ccc(Cl)cc3)CCC2)c(=O)n1CC(=O)NCc1cnc(N)cn1

InChI: InChI=1S/C23H26ClN7O2/c1-15-9-29-21(30-14-23(7-2-8-23)16-3-5-17(24)6-4-16)22(33)31(15)13-20(32)28-11-18-10-27-19(25)12-26-18/h3-6,9-10,12H,2,7-8,11,13-14H2,1H3,(H2,25,27)(H,28,32)(H,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.70 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization