| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5KYG6V6HZQ |
| EPA CompTox | DTXSID20167962 |
Structure
| InChI Key | NDKWDGCTUOOAPF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.05 |
| AlogP | 1.19 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 78.39 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16554-45-3 |
| NORMAN SUSDAT | |
| FDA SRS | 5KYG6V6HZQ |
| PubChem | 85491 |
| ChemSpider | 16837.0 |
CONTENTS
