Molecule ID: mol11391

SMILES: NCc1ccccc1CCC(=O)O

InChI: InChI=1S/C10H13NO2/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-4H,5-7,11H2,(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.22 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization