Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 42L7BZ8H74
EPA CompTox DTXSID3058901

Structure

InChI Key YYVYAPXYZVYDHN-UHFFFAOYSA-N
Smiles c1ccc2c(c1)c1ccccc1C(=O)C2=O
InChI
InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H8O2
Molecular Weight 208.05
AlogP 2.73
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 84-11-7
NORMAN SUSDAT
FDA SRS 42L7BZ8H74
PubChem 6763
ChemSpider 6505.0