| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80887119 |
Structure
| InChI Key | CKYQQSJXQJDXNK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18NO3 |
| Molecular Weight | 223.12 |
| AlogP | 3.25 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 52.37 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68015-94-1 |
| NORMAN SUSDAT | |
| PubChem | 107046 |
CONTENTS
