| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40913928 |
Structure
| InChI Key | WLZNNRXZWUUMGD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H15NO4 |
| Molecular Weight | 177.1 |
| AlogP | -2.1 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 81.95 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 97416-77-8 |
| NORMAN SUSDAT | |
| PubChem | 3024887 |
CONTENTS
