Molecule ID: mol12652

SMILES: COC(=O)Cc1ccccc1N

InChI: InChI=1S/C9H11NO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6,10H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization