Molecule ID: mol20998

SMILES: N#C/C(=N\O)C(=O)Nc1ccccc1

InChI: InChI=1S/C9H7N3O2/c10-6-8(12-14)9(13)11-7-4-2-1-3-5-7/h1-5,14H,(H,11,13)/b12-8+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.12 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization