Molecule ID: mol23292

SMILES: O=C(O)C(=O)Nc1ccccc1

InChI: InChI=1S/C8H7NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.18 AttenGpKa training set 0 » -1
2.18 QSARToolbox 0 » -1
2.18 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization