Molecule ID: mol7461

SMILES: COc1ncnc(NN)c1[N+](=O)[O-]

InChI: InChI=1S/C5H7N5O3/c1-13-5-3(10(11)12)4(9-6)7-2-8-5/h2H,6H2,1H3,(H,7,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.72 IUPAC digitized pKa 1 » 0
2.72 OCHEM 1 » 0
2.72 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization