Molecule ID: mol7039

SMILES: COc1cc(N)nc(OC)n1

InChI: InChI=1S/C6H9N3O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.22 IUPAC digitized pKa 1 » 0
3.22 OCHEM 1 » 0
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Charge States and Microspecies Visualization