| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CWC6X7XX9X |
| EPA CompTox | DTXSID5066037 |
Structure
| InChI Key | YAPAEYFBLRVUMH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N1O4 |
| Molecular Weight | 183.05 |
| AlogP | 0.97 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 72.6 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16365-27-8 |
| NORMAN SUSDAT | |
| FDA SRS | CWC6X7XX9X |
| PubChem | 85381 |
| ChemSpider | 77004.0 |
CONTENTS
