Molecule ID: mol17859

SMILES: CC(C)(C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(NC(C)(C)C)n1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization