Molecule ID: mol32413

SMILES: O=C(O)C=Cc1c[nH]cn1

InChI: InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization