| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NB6GLW3KRF |
| EPA CompTox | DTXSID30996048 |
Structure
| InChI Key | ALEKBMQVKFWMOR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.13 |
| AlogP | 2.8 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 74525-52-3 |
| NORMAN SUSDAT | |
| FDA SRS | NB6GLW3KRF |
| PubChem | 3018520 |
CONTENTS
