Molecule ID: mol3136

SMILES: NC(=NO)C(N)=NO

InChI: InChI=1S/C2H6N4O2/c3-1(5-7)2(4)6-8/h7-8H,(H2,3,5)(H2,4,6)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.60 OCHEM 2 » 1
2.60 OCHEM 2 » 1
2.95 IUPAC digitized pKa 2 » 1
2.95 IUPAC digitized pKa 2 » 1
2.95 QSARToolbox 2 » 1
2.95 QSARToolbox 2 » 1
2.96 IUPAC digitized pKa 2 » 1
2.96 QSARToolbox 2 » 1
2.96 QSARToolbox 2 » 1
2.97 Datawarrior 2 » 1
2.97 OCHEM 2 » 1
2.98 IUPAC digitized pKa 2 » 1
2.98 QSARToolbox 2 » 1
3.02 AttenGpKa training set 2 » 1
10.62 IUPAC digitized pKa 0 » -1
10.62 AttenGpKa training set 0 » -1
11.31 IUPAC digitized pKa 0 » -1
11.31 QSARToolbox 0 » -1
11.34 Datawarrior 0 » -1
11.34 OCHEM 0 » -1
11.37 QSARToolbox 0 » -1
11.37 IUPAC digitized pKa 0 » -1
11.37 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization