Molecule ID: mol23714

SMILES: CNc1ccc(N=O)cc1

InChI: InChI=1S/C7H8N2O/c1-8-6-2-4-7(9-10)5-3-6/h2-5,8H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization