Molecule ID: mol24362

SMILES: CCN(CC)CCCNC(=O)c1c(C)ccc(C)c1C

InChI: InChI=1S/C17H28N2O/c1-6-19(7-2)12-8-11-18-17(20)16-14(4)10-9-13(3)15(16)5/h9-10H,6-8,11-12H2,1-5H3,(H,18,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization