| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D735FU4G5Q |
| EPA CompTox | DTXSID10233847 |
Structure
| InChI Key | XJWSVPJQEDFPSB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H10O5 |
| Molecular Weight | 210.05 |
| AlogP | 0.72 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 72.83 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84803-60-1 |
| NORMAN SUSDAT | |
| FDA SRS | D735FU4G5Q |
| PubChem | 16205529 |
| ChemSpider | 10144250.0 |
CONTENTS
