Molecule ID: mol15657

SMILES: CC(CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1

InChI: InChI=1S/C21H27NO/c1-18(22-15-9-4-10-16-22)17-21(23,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,18,23H,4,9-10,15-17H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization