Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0H0YJ25O3W
EPA CompTox DTXSID70196368

Structure

InChI Key YUSHFLBKQQILNV-UHFFFAOYSA-N
Smiles O=C1c2ccccc2COc2c1cccc2
InChI
InChI=1S/C14H10O2/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10O2
Molecular Weight 210.07
AlogP 2.81
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 4504-87-4
NORMAN SUSDAT
FDA SRS 0H0YJ25O3W
PubChem 78259
ChemSpider 70632.0