Molecule ID: mol7492

SMILES: CNc1ncc(OC)cn1

InChI: InChI=1S/C6H9N3O/c1-7-6-8-3-5(10-2)4-9-6/h3-4H,1-2H3,(H,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization