| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MYD776SC2N |
| EPA CompTox | DTXSID40201397 |
Structure
| InChI Key | NSVKLONIKJVUPZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.07 |
| AlogP | 1.55 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 55.76 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5327-91-3 |
| NORMAN SUSDAT | |
| FDA SRS | MYD776SC2N |
| PubChem | 79233 |
| ChemSpider | 71558.0 |
CONTENTS
