Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S64SQQ4UJR
EPA CompTox DTXSID50198421

Structure

InChI Key KIYUNVUWDQKWPJ-UHFFFAOYSA-N
Smiles O=CC1CCCCCCCCCCC1
InChI
InChI=1/C13H24O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H24O
Molecular Weight 196.18
AlogP 4.11
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 5037-22-9
NORMAN SUSDAT
FDA SRS S64SQQ4UJR
PubChem 78737