| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90938863 |
Structure
| InChI Key | OCJMNSVWIYIHRK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H13NO2 |
| Molecular Weight | 155.09 |
| AlogP | 1.63 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 50.09 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17686-39-4 |
| NORMAN SUSDAT | |
| PubChem | 87236 |
CONTENTS
