Molecule ID: mol6297

SMILES: ClCCN(CCCl)Cc1ccc2c(c1)CCCC2

InChI: InChI=1S/C15H21Cl2N/c16-7-9-18(10-8-17)12-13-5-6-14-3-1-2-4-15(14)11-13/h5-6,11H,1-4,7-10,12H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization