| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FP41RNB020 |
| EPA CompTox | DTXSID60862181 |
Structure
| InChI Key | MIJRFWVFNKQQDK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H8O4 |
| Molecular Weight | 192.04 |
| AlogP | 1.79 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 63.58 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 552-86-3 |
| NORMAN SUSDAT | |
| FDA SRS | FP41RNB020 |
| PubChem | 11100 |
CONTENTS
