| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4G08S4XUIX |
| EPA CompTox | DTXSID5024554 |
Structure
| InChI Key | KAEZRSFWWCTVNP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H14N2O3 |
| Molecular Weight | 258.1 |
| AlogP | 3.63 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 56.89 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1562-94-3 |
| NORMAN SUSDAT | |
| FDA SRS | 4G08S4XUIX |
| PubChem | 15277 |
| ChemSpider | 21171870.0 |
CONTENTS
