Molecule ID: mol25073

SMILES: CC(=O)Nc1cccc[n+]1C

InChI: InChI=1S/C8H10N2O/c1-7(11)9-8-5-3-4-6-10(8)2/h3-6H,1-2H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization