Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0L8N15IQC6
EPA CompTox DTXSID40201711

Structure

InChI Key PQWBDPUBNMEITD-UHFFFAOYSA-N
Smiles O=C(OCCCCC)CCCCCCCCCCC
InChI
InChI=1/C17H34O2/c1-3-5-7-8-9-10-11-12-13-15-17(18)19-16-14-6-4-2/h3-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H34O2
Molecular Weight 270.26
AlogP 5.64
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 26.3
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 5350-03-8
NORMAN SUSDAT
FDA SRS 0L8N15IQC6
PubChem 62571