Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70993617

Structure

InChI Key YQGGUZWHNVQJMF-UHFFFAOYSA-N
Smiles O=C(O)CC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h2-16H2,1H3,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34O3
Molecular Weight 298.25
AlogP 5.51
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 54.37
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 72823-46-2
NORMAN SUSDAT
PubChem 5283005