| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6D43C3LYSG |
| EPA CompTox | DTXSID4052558 |
Structure
| InChI Key | VBHKTXLEJZIDJF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H8O6 |
| Molecular Weight | 272.03 |
| AlogP | 1.28 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 4.0 |
| Polar Surface Area | 115.06 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 81-61-8 |
| NORMAN SUSDAT | |
| FDA SRS | 6D43C3LYSG |
| PubChem | 5004 |
| ChemSpider | 4829.0 |
CONTENTS
