Molecule ID: mol4330

SMILES: Cn1ccc2cccc(=O)c-2c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization