Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GV5QQX9B4H
EPA CompTox DTXSID3041821

Structure

InChI Key YZKUNNFZLUCEET-UHFFFAOYSA-N
Smiles O=C1C(=CCCCC)CCC1
InChI
InChI=1/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h6H,2-5,7-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O
Molecular Weight 152.12
AlogP 2.86
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 16424-35-4
NORMAN SUSDAT
FDA SRS GV5QQX9B4H
PubChem 86000