| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6KA95X0IVO |
| EPA CompTox | DTXSID5075159 |
Structure
| InChI Key | UKAUYVFTDYCKQA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9N1O3 |
| Molecular Weight | 119.06 |
| AlogP | -1.22 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 83.55 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 672-15-1 |
| NORMAN SUSDAT | |
| FDA SRS | 6KA95X0IVO |
| ChemSpider | 758.0 |
CONTENTS
