Molecule ID: mol5338

SMILES: CN(CC(=O)O)C(=N)N

InChI: InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.54 IUPAC digitized pKa 1 » 0
2.57 IUPAC digitized pKa 1 » 0
2.58 IUPAC digitized pKa 1 » 0
2.63 IUPAC digitized pKa 1 » 0
2.63 QSARToolbox 1 » 0
2.67 QSARToolbox 1 » 0
2.73 IUPAC digitized pKa 1 » 0
2.74 IUPAC digitized pKa 1 » 0
2.75 IUPAC digitized pKa 1 » 0
2.75 IUPAC digitized pKa 1 » 0
2.76 IUPAC digitized pKa 1 » 0
2.87 AttenGpKa training set 1 » 0
11.02 AttenGpKa training set 0 » -1
14.28 IUPAC digitized pKa -1 » -2
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Charge States and Microspecies Visualization