Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PM82ZQ3CVK
EPA CompTox DTXSID7064578

Structure

InChI Key PZJXLLHDHUDWFH-UHFFFAOYSA-N
Smiles CC(=O)/C=C/C1CCCCC1
InChI
InChI=1S/C10H16O/c1-9(11)7-8-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/b8-7+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O1
Molecular Weight 152.12
AlogP 2.71
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 41437-84-7
NORMAN SUSDAT
FDA SRS PM82ZQ3CVK
PubChem 95597
ChemSpider 86290.0