Molecule ID: mol3437

SMILES: CCCCOc1cccc(C(=O)OCCN(CC)CC)c1

InChI: InChI=1S/C17H27NO3/c1-4-7-12-20-16-10-8-9-15(14-16)17(19)21-13-11-18(5-2)6-3/h8-10,14H,4-7,11-13H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.11 IUPAC digitized pKa 1 » 0
8.11 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization