Molecule ID: mol31423

SMILES: NC(Cc1ccccc1)C(=O)NO

InChI: InChI=1S/C9H12N2O2/c10-8(9(12)11-13)6-7-4-2-1-3-5-7/h1-5,8,13H,6,10H2,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.78 QSARToolbox 1 » 0
6.90 AttenGpKa training set 1 » 0
9.05 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization