Molecule ID: mol18896

SMILES: O=[N+]([O-])c1ncn(CCCCNc2ccnc3cc(C(F)(F)F)ccc23)n1

InChI: InChI=1S/C16H15F3N6O2/c17-16(18,19)11-3-4-12-13(5-7-21-14(12)9-11)20-6-1-2-8-24-10-22-15(23-24)25(26)27/h3-5,7,9-10H,1-2,6,8H2,(H,20,21)

Experimental Macro pKa Values

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