Molecule ID: mol37867

SMILES: Cc1c(O)c(/C=N/Nc2ccccn2)c(CO)c[n+]1C

InChI: InChI=1S/C14H16N4O2/c1-10-14(20)12(11(9-19)8-18(10)2)7-16-17-13-5-3-4-6-15-13/h3-8,19-20H,9H2,1-2H3/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.39 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization