| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QR42U3BY92 |
| EPA CompTox | DTXSID9063112 |
Structure
| InChI Key | DJQMYWWZWUOCBQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.07 |
| AlogP | 0.62 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 72.83 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3645-00-9 |
| NORMAN SUSDAT | |
| FDA SRS | QR42U3BY92 |
| PubChem | 77207 |
| ChemSpider | 69636.0 |
CONTENTS
