Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DG2EOL57LF
EPA CompTox DTXSID5062263

Structure

InChI Key NQMUGNMMFTYOHK-UHFFFAOYSA-N
Smiles COc1c2ccccc2ccc1
InChI
InChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10O1
Molecular Weight 158.07
AlogP 2.85
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 2216-69-5
NORMAN SUSDAT
FDA SRS DG2EOL57LF
PubChem 16668
ChemSpider 15805.0