Molecule ID: mol13622

SMILES: CNc1cccc[n+]1O

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization