Molecule ID: mol2208

SMILES: CCOC(=O)COc1ccc(N)cc1

InChI: InChI=1S/C10H13NO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7,11H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization