Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UI7W503L08
EPA CompTox DTXSID9022108

Structure

InChI Key IYKFYARMMIESOX-UHFFFAOYSA-N
Smiles O=C1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/t6-,7+,8-,9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O1
Molecular Weight 150.1
AlogP 2.01
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 700-58-3
NORMAN SUSDAT
FDA SRS UI7W503L08
PubChem 64151
ChemSpider 57725.0