| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40167828 |
Structure
| InChI Key | MQSGCURTKWHBRX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1O4 |
| Molecular Weight | 181.04 |
| AlogP | 1.37 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 61.6 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16498-20-7 |
| NORMAN SUSDAT | |
| PubChem | 85460 |
| ChemSpider | 77074.0 |
CONTENTS
