| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BBD3Y6XDN3 |
| EPA CompTox | DTXSID30233349 |
Structure
| InChI Key | WRAZHLRMDRTLOZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1O3 |
| Molecular Weight | 179.06 |
| AlogP | 1.67 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 47.89 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84370-87-6 |
| NORMAN SUSDAT | |
| FDA SRS | BBD3Y6XDN3 |
| PubChem | 601637 |
| ChemSpider | 523017.0 |
CONTENTS
