Molecule ID: mol4143

SMILES: Nc1cc(N)nc(O)n1

InChI: InChI=1S/C4H6N4O/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.47 QSARToolbox 1 » 0
6.47 IUPAC digitized pKa 1 » 0
6.56 IUPAC digitized pKa 1 » 0
11.98 QSARToolbox 0 » -1
11.98 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization