Molecule ID: mol17851

SMILES: O=[N+]([O-])c1ccc(Nc2nc(NCCCn3ccnc3)nc(NCCCn3ccnc3)n2)cc1

InChI: InChI=1S/C21H25N11O2/c33-32(34)18-5-3-17(4-6-18)26-21-28-19(24-7-1-11-30-13-9-22-15-30)27-20(29-21)25-8-2-12-31-14-10-23-16-31/h3-6,9-10,13-16H,1-2,7-8,11-12H2,(H3,24,25,26,27,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.96 Baltruschat ChEMBL 4 » 3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization