Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8065745

Structure

InChI Key QNBZQCMSRGAZCR-UHFFFAOYSA-N
Smiles C=CCOCCc1ccccc1
InChI
InChI=1S/C11H14O/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14O1
Molecular Weight 162.1
AlogP 2.43
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 9.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 14289-65-7
NORMAN SUSDAT
PubChem 84328
ChemSpider 76071.0