Molecule ID: mol6173

SMILES: CCN(CC)CCNC(=O)c1cc(C)c(C)c(C)c1

InChI: InChI=1S/C16H26N2O/c1-6-18(7-2)9-8-17-16(19)15-10-12(3)14(5)13(4)11-15/h10-11H,6-9H2,1-5H3,(H,17,19)

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