Keyword(s): | Human Metabolites |
Molecule Category | Free-form |
EPA CompTox | DTXSID10880416 |
InChI Key | KVLHRMQNRDJRKW-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C13H5F21O1 | |
Molecular Weight | 576.0 | |
AlogP | 7.06 | |
Hydrogen Bond Acceptor | 1.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 10.0 | |
Polar Surface Area | 12.53 | |
Molecular species | None | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 35.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 38565-54-7 | |
NORMAN SUSDAT | ||
PubChem | 2776077 | |
ChemSpider | 2056401.0 |