Molecule ID: mol16236

SMILES: O=C1NC(=O)C(c2ccccc2)O1

InChI: InChI=1S/C9H7NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization