Molecule ID: mol2363

SMILES: CN(CCCl)CCCl

InChI: InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.10 IUPAC digitized pKa 1 » 0
6.40 Jensen 1 » 0
6.43 IUPAC digitized pKa 1 » 0
6.43 Organic Oxygen Acids and Nitrogen Bases 1 » 0
6.43 OCHEM 1 » 0
6.43 Hunt 1 » 0
6.43 OCHEM 1 » 0
6.45 Baltruschat ChEMBL 1 » 0
6.76 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization