| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G2WJL22WDV |
| EPA CompTox | DTXSID30168061 |
Structure
| InChI Key | QSVQZFVXAUGEMT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N1O5 |
| Molecular Weight | 171.02 |
| AlogP | 0.71 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 103.83 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16600-92-3 |
| NORMAN SUSDAT | |
| FDA SRS | G2WJL22WDV |
| PubChem | 85509 |
| ChemSpider | 77119.0 |
CONTENTS
