Molecule ID: mol18891

SMILES: O=[N+]([O-])c1ncn(CCCNc2c3ccccc3nc3ccccc23)n1

InChI: InChI=1S/C18H16N6O2/c25-24(26)18-20-12-23(22-18)11-5-10-19-17-13-6-1-3-8-15(13)21-16-9-4-2-7-14(16)17/h1-4,6-9,12H,5,10-11H2,(H,19,21)

Experimental Macro pKa Values

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