Molecule ID: mol7440

SMILES: CCn1ccc(O)nc1=O

InChI: InChI=1S/C6H8N2O2/c1-2-8-4-3-5(9)7-6(8)10/h3-4H,2H2,1H3,(H,7,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization