Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1L43Q07TBU
EPA CompTox DTXSID1033371

Structure

InChI Key XCIXKGXIYUWCLL-UHFFFAOYSA-N
Smiles OC1CCCC1
InChI
InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O1
Molecular Weight 86.07
AlogP 0.92
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 96-41-3
NORMAN SUSDAT
FDA SRS 1L43Q07TBU
PubChem 7298
ChemSpider 7026.0