Molecule ID: mol6863

SMILES: Cn1ccc(=O)n1-c1ccccc1

InChI: InChI=1S/C10H10N2O/c1-11-8-7-10(13)12(11)9-5-3-2-4-6-9/h2-8H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.42 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization