Molecule ID: mol17865

SMILES: O=[N+]([O-])c1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1

InChI: InChI=1S/C17H21N7O2/c25-24(26)14-7-5-13(6-8-14)18-15-19-16(22-9-1-2-10-22)21-17(20-15)23-11-3-4-12-23/h5-8H,1-4,9-12H2,(H,18,19,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.62 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization