Molecule ID: mol20324

SMILES: Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)cn1

InChI: InChI=1S/C20H23N7O2/c1-14-9-26-19(22-8-7-15-5-3-2-4-6-15)20(29)27(14)13-18(28)25-11-16-10-24-17(21)12-23-16/h2-6,9-10,12H,7-8,11,13H2,1H3,(H2,21,24)(H,22,26)(H,25,28)

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