Molecule ID: mol6514

SMILES: COC(=O)c1ccc(OC)nc1C(=O)OC

InChI: InChI=1S/C10H11NO5/c1-14-7-5-4-6(9(12)15-2)8(11-7)10(13)16-3/h4-5H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.27 OCHEM 1 » 0
-2.27 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization