Molecule ID: mol17864

SMILES: O=[N+]([O-])c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1

InChI: InChI=1S/C19H25N7O2/c27-26(28)16-9-7-15(8-10-16)20-17-21-18(24-11-3-1-4-12-24)23-19(22-17)25-13-5-2-6-14-25/h7-10H,1-6,11-14H2,(H,20,21,22,23)

Experimental Macro pKa Values

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