Molecule ID: mol7091

SMILES: COc1cc(N)nc(C)n1

InChI: InChI=1S/C6H9N3O/c1-4-8-5(7)3-6(9-4)10-2/h3H,1-2H3,(H2,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization