Molecule ID: mol27569

SMILES: O=C(O)CN1C(=O)NC(=O)C1Cc1ccccc1

InChI: InChI=1S/C12H12N2O4/c15-10(16)7-14-9(11(17)13-12(14)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)(H,13,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.81 QSARToolbox 0 » -1
2.81 AttenGpKa training set 0 » -1
8.96 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization