Molecule ID: mol17857

SMILES: CCCCCCCNc1nc(NCCCCCCC)nc(Nc2ccc([N+](=O)[O-])cc2)n1

InChI: InChI=1S/C23H37N7O2/c1-3-5-7-9-11-17-24-21-27-22(25-18-12-10-8-6-4-2)29-23(28-21)26-19-13-15-20(16-14-19)30(31)32/h13-16H,3-12,17-18H2,1-2H3,(H3,24,25,26,27,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization