| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30186462 |
Structure
| InChI Key | OOSBNKMKKNIQAN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11N1O4 |
| Molecular Weight | 245.07 |
| AlogP | 3.4 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 61.6 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 32795-85-0 |
| NORMAN SUSDAT | |
| PubChem | 122965 |
| ChemSpider | 109606.0 |
CONTENTS
