Molecule ID: mol12664

SMILES: CCOC(=O)Cc1ccccn1

InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization