Molecule ID: mol12170

SMILES: NC(=O)C1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1

InChI: InChI=1S/C17H14N2O3/c18-14(20)13-15(21)19-16(22)17(13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,18,20)(H,19,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization