| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SW60NG75EN |
| EPA CompTox | DTXSID10186804 |
Structure
| InChI Key | XJNPNXSISMKQEX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N1O4 |
| Molecular Weight | 155.02 |
| AlogP | 1.01 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 83.6 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3316-09-4 |
| NORMAN SUSDAT | |
| FDA SRS | SW60NG75EN |
| ChemSpider | 2745027.0 |
CONTENTS
