| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GQ8XR83GSL |
| EPA CompTox | DTXSID70239668 |
Structure
| InChI Key | CBCWWMWAAXQAPD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H13N1O2 |
| Molecular Weight | 191.09 |
| AlogP | 3.45 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 49.66 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93803-43-1 |
| NORMAN SUSDAT | |
| FDA SRS | GQ8XR83GSL |
| PubChem | 3022401 |
| ChemSpider | 2288908.0 |
CONTENTS
