| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SDJ5LB5A6A |
| EPA CompTox | DTXSID20192375 |
Structure
| InChI Key | VYHSWZULFYFDMO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11N1O2 |
| Molecular Weight | 153.08 |
| AlogP | 0.8 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.49 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39123-58-5 |
| NORMAN SUSDAT | |
| FDA SRS | SDJ5LB5A6A |
| PubChem | 3016046 |
| ChemSpider | 2284058.0 |
CONTENTS
