Molecule ID: mol17856

SMILES: CCCCNc1nc(NCCCC)nc(Nc2ccc([N+](=O)[O-])cc2)n1

InChI: InChI=1S/C17H25N7O2/c1-3-5-11-18-15-21-16(19-12-6-4-2)23-17(22-15)20-13-7-9-14(10-8-13)24(25)26/h7-10H,3-6,11-12H2,1-2H3,(H3,18,19,20,21,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.32 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization