| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4163K563GS |
| EPA CompTox | DTXSID3060089 |
Structure
| InChI Key | BHUIUXNAPJIDOG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.05 |
| AlogP | 0.91 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 495-76-1 |
| NORMAN SUSDAT | |
| FDA SRS | 4163K563GS |
| PubChem | 10322 |
| ChemSpider | 9900.0 |
CONTENTS
