Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30987138

Structure

InChI Key MVZZRCWDWNZKGX-UHFFFAOYSA-N
Smiles O=C1C=2C=CC=CC2C(C3=CC=C(F)C=C3)C1
InChI
InChI=1/C15H11FO/c16-11-7-5-10(6-8-11)14-9-15(17)13-4-2-1-3-12(13)14/h1-8,14H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11FO
Molecular Weight 226.08
AlogP 3.54
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 67800-14-0
NORMAN SUSDAT
PubChem 3017788