Molecule ID: mol25061

SMILES: CC(=O)Oc1cccnc1

InChI: InChI=1S/C7H7NO2/c1-6(9)10-7-3-2-4-8-5-7/h2-5H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization