Molecule ID: mol14010

SMILES: O=C1Nc2ccccc2C1=O

InChI: InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.90 QSARToolbox 0 » -1
11.90 Datawarrior 0 » -1
11.90 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization