Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CFX48CDY8V
EPA CompTox DTXSID0064549

Structure

InChI Key SBRUFOSORMQHES-UHFFFAOYSA-N
Smiles O=Cc1c2ccccc2c(C=O)c2ccccc12
InChI
InChI=1S/C16H10O2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H10O2
Molecular Weight 234.07
AlogP 3.62
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 34.14
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 7044-91-9
NORMAN SUSDAT
FDA SRS CFX48CDY8V
PubChem 81500
ChemSpider 14430.0