| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID101004464 |
Structure
| InChI Key | VGLFNWSQUOWJQL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13ClO6 |
| Molecular Weight | 252.04 |
| AlogP | 1.25 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 78.9 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84209-30-3 |
| NORMAN SUSDAT | |
| PubChem | 13517283 |
CONTENTS
