| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 735M30625H |
| EPA CompTox | DTXSID2075261 |
Structure
| InChI Key | MHKBMNACOMRIAW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4N2O5 |
| Molecular Weight | 184.01 |
| AlogP | 1.21 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 106.51 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 66-56-8 |
| NORMAN SUSDAT | |
| FDA SRS | 735M30625H |
| PubChem | 6191 |
| ChemSpider | 5956.0 |
CONTENTS
