Molecule ID: mol7012

SMILES: Cc1ncc(C(=O)O)c(N)n1

InChI: InChI=1S/C6H7N3O2/c1-3-8-2-4(6(10)11)5(7)9-3/h2H,1H3,(H,10,11)(H2,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization