Molecule ID: mol37777

SMILES: C[n+]1c[nH]c2c(=O)[nH]c(=O)[nH]c21

InChI: InChI=1S/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12)/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.12 QSARToolbox 0 » -1
6.25 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization