| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7QHC87YPG8 |
| EPA CompTox | DTXSID6074918 |
Structure
| InChI Key | FNEWGEWRECZWQM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H14O3 |
| Molecular Weight | 182.09 |
| AlogP | 1.94 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5595-79-9 |
| NORMAN SUSDAT | |
| FDA SRS | 7QHC87YPG8 |
| PubChem | 6453284 |
| ChemSpider | 4955670.0 |
CONTENTS
