Molecule ID: mol29730

SMILES: CCCN(CCC)CCc1cccc2c1C(=O)C(=O)N2

InChI: InChI=1S/C16H22N2O2/c1-3-9-18(10-4-2)11-8-12-6-5-7-13-14(12)15(19)16(20)17-13/h5-7H,3-4,8-11H2,1-2H3,(H,17,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization