Molecule ID: mol23328

SMILES: NCc1ccc(/C=C/C(=O)O)cc1

InChI: InChI=1S/C10H11NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-6H,7,11H2,(H,12,13)/b6-5+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.06 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization