Molecule ID: mol4329

SMILES: Cn1ccc2cc(=O)ccc-2c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization