| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60206980 |
Structure
| InChI Key | UDEQFYWNFHWPRH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H11Cl1O3 |
| Molecular Weight | 274.04 |
| AlogP | 3.42 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 58249-87-9 |
| NORMAN SUSDAT | |
| PubChem | 94004 |
| ChemSpider | 5741.0 |
CONTENTS
