Molecule ID: mol8580

SMILES: O=C(O)Cc1ccccn1

InChI: InChI=1S/C7H7NO2/c9-7(10)5-6-3-1-2-4-8-6/h1-4H,5H2,(H,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.57 IUPAC digitized pKa 1 » 0
5.68 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization