Molecule ID: mol13315

SMILES: N#CC(C#N)c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C9H5N3O2/c10-5-8(6-11)7-1-3-9(4-2-7)12(13)14/h1-4,8H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization