| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5I2X1D2NE3 |
| EPA CompTox | DTXSID90202399 |
Structure
| InChI Key | PCMLAOQXILPCIL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7N1O5 |
| Molecular Weight | 185.03 |
| AlogP | 1.25 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 82.58 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5407-68-1 |
| NORMAN SUSDAT | |
| FDA SRS | 5I2X1D2NE3 |
| PubChem | 79412 |
| ChemSpider | 71731.0 |
CONTENTS
