Molecule ID: mol26876

SMILES: COC(=O)CC(=O)c1ccccn1

InChI: InChI=1S/C9H9NO3/c1-13-9(12)6-8(11)7-4-2-3-5-10-7/h2-5H,6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization