Molecule ID: mol6258

SMILES: OCCN(CCO)Cc1ccc(Cl)cc1

InChI: InChI=1S/C11H16ClNO2/c12-11-3-1-10(2-4-11)9-13(5-7-14)6-8-15/h1-4,14-15H,5-9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization