Molecule ID: mol18900

SMILES: O=[N+]([O-])c1ncn(CCCCNc2ccnc3cccnc23)n1

InChI: InChI=1S/C14H15N7O2/c22-21(23)14-18-10-20(19-14)9-2-1-6-15-12-5-8-16-11-4-3-7-17-13(11)12/h3-5,7-8,10H,1-2,6,9H2,(H,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.81 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization