| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 229K1W6JFY |
| EPA CompTox | DTXSID0022353 |
Structure
| InChI Key | MXORDJXBRHNWBE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9Cl1O1 |
| Molecular Weight | 204.03 |
| AlogP | 3.71 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 92-04-6 |
| NORMAN SUSDAT | |
| FDA SRS | 229K1W6JFY |
| PubChem | 79688 |
| ChemSpider | 71988.0 |
CONTENTS
