Molecule ID: mol4406

SMILES: Cn1cccc2c(=O)cccc1-2

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.09 IUPAC digitized pKa 1 » 0
6.09 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization