Molecule ID: mol18935

SMILES: Cn1cc[n+](COC[n+]2ccccc2/C=N/O)c1/C=N/O

InChI: InChI=1S/C13H15N5O3/c1-16-6-7-18(13(16)9-15-20)11-21-10-17-5-3-2-4-12(17)8-14-19/h2-9H,10-11H2,1H3/p+2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.56 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization