Molecule ID: mol18894

SMILES: O=[N+]([O-])c1ncn(CCCNc2ccnc3cc(Cl)ccc23)n1

InChI: InChI=1S/C14H13ClN6O2/c15-10-2-3-11-12(4-6-17-13(11)8-10)16-5-1-7-20-9-18-14(19-20)21(22)23/h2-4,6,8-9H,1,5,7H2,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization