Molecule ID: mol16099

SMILES: CN(CC#CCN1CCCC1=O)CCBr

InChI: InChI=1S/C11H17BrN2O/c1-13(10-6-12)7-2-3-8-14-9-4-5-11(14)15/h4-10H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.60 OCHEM 1 » 0
5.60 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization