| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5BI780R6W6 |
| EPA CompTox | DTXSID1021823 |
Structure
| InChI Key | LXQOQPGNCGEELI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N3O4 |
| Molecular Weight | 183.03 |
| AlogP | 1.09 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 112.3 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 97-02-9 |
| NORMAN SUSDAT | |
| FDA SRS | 5BI780R6W6 |
| PubChem | 7321 |
| ChemSpider | 7045.0 |
CONTENTS
