Molecule ID: mol30868

SMILES: CCCCCCCC(C)c1ccc(O)c(CN(C)C)c1

InChI: InChI=1S/C18H31NO/c1-5-6-7-8-9-10-15(2)16-11-12-18(20)17(13-16)14-19(3)4/h11-13,15,20H,5-10,14H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization