Molecule ID: mol5030

SMILES: COc1cccc2c1NC1CCCCC21

InChI: InChI=1S/C13H17NO/c1-15-12-8-4-6-10-9-5-2-3-7-11(9)14-13(10)12/h4,6,8-9,11,14H,2-3,5,7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization