Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T7X56JDK2Q
EPA CompTox DTXSID10201940

Structure

InChI Key UIDOOQRSFZDBLK-UHFFFAOYSA-N
Smiles O=C(CCC)CCCCCCCCCCCCC
InChI
InChI=1/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2/h3-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H34O
Molecular Weight 254.26
AlogP 6.06
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 17.07
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 53685-77-1
NORMAN SUSDAT
FDA SRS T7X56JDK2Q
PubChem 98675