Keyword(s): | Human Metabolites |
Molecule Category | Free-form |
EPA CompTox | DTXSID00880465 |
InChI Key | DIDOQTSWDGCVSY-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C16H5F27O1 | |
Molecular Weight | 725.99 | |
AlogP | 8.96 | |
Hydrogen Bond Acceptor | 1.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 12.0 | |
Polar Surface Area | 12.53 | |
Molecular species | None | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 44.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 54009-78-8 | |
NORMAN SUSDAT | ||
PubChem | 5743510 | |
ChemSpider | 4675371.0 |