Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30225961

Structure

InChI Key UNDPIHWFQWDTGX-UHFFFAOYSA-N
Smiles CCCCCCN1CCOCCOCCOCCOCC1
InChI
InChI=1S/C16H33NO4/c1-2-3-4-5-6-17-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h2-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H33N1O4
Molecular Weight 303.24
AlogP 1.95
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 40.16
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 75006-53-0
NORMAN SUSDAT
PubChem 44145017
ChemSpider 21163056.0