| Keyword(s): | Human Metabolites |
| Molecule Category | Salt-form |
| EPA CompTox | DTXSID501000919 |
Structure
| InChI Key | RWBGDXQNRIAGLL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9NO3 |
| Molecular Weight | 167.03 |
| AlogP | -0.2 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 80.39 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 80028-67-7 |
| NORMAN SUSDAT |
CONTENTS
