| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AOX68RY4TV |
| EPA CompTox | DTXSID6042521 |
Structure
| InChI Key | ZEFNOZRLAWVAQF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N3O5 |
| Molecular Weight | 225.04 |
| AlogP | 1.69 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 130.36 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 148-01-6 |
| NORMAN SUSDAT | |
| FDA SRS | AOX68RY4TV |
| PubChem | 3092 |
| ChemSpider | 2982.0 |
CONTENTS
