Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8XP83D2QLV
EPA CompTox DTXSID90161215

Structure

InChI Key VSSFMDMVOWSDBX-UHFFFAOYSA-N
Smiles Cc1cc2c(oc(=O)cc2C)cc1
InChI
InChI=1S/C11H10O2/c1-7-3-4-10-9(5-7)8(2)6-11(12)13-10/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10O2
Molecular Weight 174.07
AlogP 2.41
Hydrogen Bond Acceptor 2.0
Polar Surface Area 30.21
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 14002-89-2
NORMAN SUSDAT
FDA SRS 8XP83D2QLV
PubChem 84153
ChemSpider 75921.0