Molecule ID: mol6440

SMILES: CCOC(=O)c1cc(C(=O)OCC)c(C)nc1C

InChI: InChI=1S/C13H17NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h7H,5-6H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization