Molecule ID: mol4405

SMILES: Cn1ccc(=O)c2ccccc21

InChI: InChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization