Molecule ID: mol29786

SMILES: CCCN(CCC)CCc1c(Cl)ccc2c1CC(=O)N2

InChI: InChI=1S/C16H23ClN2O/c1-3-8-19(9-4-2)10-7-12-13-11-16(20)18-15(13)6-5-14(12)17/h5-6H,3-4,7-11H2,1-2H3,(H,18,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.52 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization