| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50176300 |
Structure
| InChI Key | HZSVMMXNUWDJPP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11N1O3 |
| Molecular Weight | 181.07 |
| AlogP | 0.77 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 48.3 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21898-45-3 |
| NORMAN SUSDAT | |
| PubChem | 89094 |
| ChemSpider | 80392.0 |
CONTENTS
