| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FZR4AL86N5 |
| EPA CompTox | DTXSID7067378 |
Structure
| InChI Key | SHZCHGMKOUMNAW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18O3 |
| Molecular Weight | 210.13 |
| AlogP | 2.97 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 28334-99-8 |
| NORMAN SUSDAT | |
| FDA SRS | FZR4AL86N5 |
| PubChem | 119929 |
| ChemSpider | 107077.0 |
CONTENTS
