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

Structure

InChI Key DNJXQUGTFJIYHQ-UHFFFAOYSA-N
Smiles O=COC1C=CC2C3CCC(C3)C12
InChI
InChI=1S/C11H14O2/c12-6-13-10-4-3-9-7-1-2-8(5-7)11(9)10/h3-4,6-11H,1-2,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14O2
Molecular Weight 178.1
AlogP 1.76
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 68683-22-7
NORMAN SUSDAT
PubChem 3034891
ChemSpider 2299262.0