| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GM73K8R20X |
| EPA CompTox | DTXSID6075067 |
Structure
| InChI Key | YHEWWEXPVKCVFY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16O3 |
| Molecular Weight | 196.11 |
| AlogP | 2.36 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6766-82-1 |
| NORMAN SUSDAT | |
| FDA SRS | GM73K8R20X |
CONTENTS
