Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D32SLO7BUV
EPA CompTox DTXSID50205967

Structure

InChI Key IFCBMPOMNSORDG-UHFFFAOYSA-N
Smiles O=C4c2cccc1ccc3c(c12)c4ccc3
InChI
InChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H8O1
Molecular Weight 204.06
AlogP 3.38
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 5737-13-3
NORMAN SUSDAT
FDA SRS D32SLO7BUV
PubChem 21963
ChemSpider 20640.0