Molecule ID: mol13924

SMILES: CCC1=CC(=O)C=C(CC)C1=NO

InChI: InChI=1S/C10H13NO2/c1-3-7-5-9(12)6-8(4-2)10(7)11-13/h5-6,13H,3-4H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.34 Datawarrior 0 » -1
8.34 QSARToolbox 0 » -1
8.34 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization