| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HCL6S9K23A |
| EPA CompTox | DTXSID7025716 |
Structure
| InChI Key | FEMOMIGRRWSMCU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6O4 |
| Molecular Weight | 178.03 |
| AlogP | -0.25 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 74.6 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 485-47-2 |
| NORMAN SUSDAT | |
| FDA SRS | HCL6S9K23A |
| PubChem | 10236 |
| ChemSpider | 9819.0 |
CONTENTS
