Molecule ID: mol3355

SMILES: ONc1ccccc1

InChI: InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization