| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HN5425SBF2 |
| EPA CompTox | DTXSID1022392 |
Structure
| InChI Key | FTVWIRXFELQLPI-ZDUSSCGKSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H12O5 |
| Molecular Weight | 272.07 |
| AlogP | 2.51 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 86.99 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 480-41-1 |
| NORMAN SUSDAT | |
| FDA SRS | HN5425SBF2 |
| PubChem | 439246 |
CONTENTS
