Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N948SW87NY
EPA CompTox DTXSID80219875

Structure

InChI Key FHADSMKORVFYOS-UHFFFAOYSA-N
Smiles OC1CCCCCCC1
InChI
InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O1
Molecular Weight 128.12
AlogP 2.09
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 696-71-9
NORMAN SUSDAT
FDA SRS N948SW87NY
PubChem 12766
ChemSpider 12241.0