Molecule ID: mol5771

SMILES: N=C1CC(=O)C=CC1=O

InChI: InChI=1S/C6H5NO2/c7-5-3-4(8)1-2-6(5)9/h1-2,7H,3H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization