Molecule ID: mol18897

SMILES: O=[N+]([O-])c1ncn(CCCNc2nc(-c3ccccc3)nc3ccccc23)n1

InChI: InChI=1S/C19H17N7O2/c27-26(28)19-21-13-25(24-19)12-6-11-20-18-15-9-4-5-10-16(15)22-17(23-18)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,20,22,23)

Experimental Macro pKa Values

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