Molecule ID: mol8041

SMILES: Nc1ncnc2nc(Cl)cnc12

InChI: InChI=1S/C6H4ClN5/c7-3-1-9-4-5(8)10-2-11-6(4)12-3/h1-2H,(H2,8,10,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.70 IUPAC digitized pKa 1 » 0
2.75 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization