Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80888348

Structure

InChI Key HSVRBYQDQWOTEJ-UHFFFAOYSA-N
Smiles O1C2CCCC1C(C(=C)C)C2
InChI
InChI=1/C10H16O/c1-7(2)9-6-8-4-3-5-10(9)11-8/h8-10H,1,3-6H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O
Molecular Weight 152.12
AlogP 2.52
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 72987-58-7
NORMAN SUSDAT
PubChem 175364