| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | C0EZ97V99I |
| EPA CompTox | DTXSID10239223 |
Structure
| InChI Key | XCRBXWCUXJNEFX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6O3 |
| Molecular Weight | 138.03 |
| AlogP | 1.32 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93-59-4 |
| NORMAN SUSDAT | |
| FDA SRS | C0EZ97V99I |
| PubChem | 523077 |
CONTENTS
