Molecule ID: mol17858

SMILES: CCN(CC)c1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N(CC)CC)n1

InChI: InChI=1S/C17H25N7O2/c1-5-22(6-2)16-19-15(20-17(21-16)23(7-3)8-4)18-13-9-11-14(12-10-13)24(25)26/h9-12H,5-8H2,1-4H3,(H,18,19,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization