| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Q73I5T98DA |
| EPA CompTox | DTXSID1062047 |
Structure
| InChI Key | GEGSSUSEWOHAFE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9Cl1O2 |
| Molecular Weight | 172.03 |
| AlogP | 1.71 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1892-43-9 |
| NORMAN SUSDAT | |
| FDA SRS | Q73I5T98DA |
| PubChem | 15907 |
| ChemSpider | 15118.0 |
CONTENTS
