Molecule ID: mol23345

SMILES: CC(CNc1ccccc1)C(=O)O

InChI: InChI=1S/C10H13NO2/c1-8(10(12)13)7-11-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization