Molecule ID: mol7231

SMILES: Cc1c(O)ncnc1Cl

InChI: InChI=1S/C5H5ClN2O/c1-3-4(6)7-2-8-5(3)9/h2H,1H3,(H,7,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-1.11 QSARToolbox 1 » 0
7.79 QSARToolbox 0 » -1
7.79 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization