Molecule ID: mol6163

SMILES: CCN(CC)CCNC(=O)c1ccc(C)c(C)c1

InChI: InChI=1S/C15H24N2O/c1-5-17(6-2)10-9-16-15(18)14-8-7-12(3)13(4)11-14/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization