Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60191660

Structure

InChI Key SZCGBFUWBCDIEA-UHFFFAOYSA-N
Smiles O=CCCCCCCCCCCC=O
InChI
InChI=1/C12H22O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h11-12H,1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22O2
Molecular Weight 198.16
AlogP 3.29
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 34.14
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 38279-34-4
NORMAN SUSDAT
PubChem 5743459