Molecule ID: mol13625

SMILES: CNc1cc[n+](O)cc1

InChI: InChI=1S/C6H8N2O/c1-7-6-2-4-8(9)5-3-6/h2-5,9H,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization