Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1UOK9N9N72
EPA CompTox DTXSID6029331

Structure

InChI Key ILHZVKAXFCDFMT-UHFFFAOYSA-N
Smiles CCCCCC1=CCCC1=O
InChI
InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h7H,2-6,8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O1
Molecular Weight 152.12
AlogP 2.86
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 25564-22-1
NORMAN SUSDAT
FDA SRS 1UOK9N9N72
PubChem 117549
ChemSpider 105049.0