| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID401004968 |
Structure
| InChI Key | QLSZXTYHGGLMNX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.07 |
| AlogP | 0.8 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 63.6 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84681-86-7 |
| NORMAN SUSDAT | |
| PubChem | 3020027 |
CONTENTS
