Molecule ID: mol8043

SMILES: Nc1nc(O)c2ncc(Cl)nc2n1

InChI: InChI=1S/C6H4ClN5O/c7-2-1-9-3-4(10-2)11-6(8)12-5(3)13/h1H,(H3,8,10,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization