| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10969573 |
Structure
| InChI Key | TXEGTYSYGFFYBY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9NO4 |
| Molecular Weight | 171.05 |
| AlogP | -0.28 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 96.69 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5444-16-6 |
| NORMAN SUSDAT |
CONTENTS
