Molecule ID: mol25116

SMILES: C[n+]1cccc(NC(=O)c2ccccc2)c1

InChI: InChI=1S/C13H12N2O/c1-15-9-5-8-12(10-15)14-13(16)11-6-3-2-4-7-11/h2-10H,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization