Molecule ID: mol3625

SMILES: Cn1ccc(=NC(=O)c2ccccc2)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization