| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X2512M5L7Q |
| EPA CompTox | DTXSID00210324 |
Structure
| InChI Key | OPQYFNRLWBWCST-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7Cl1O3 |
| Molecular Weight | 186.01 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 614-61-9 |
| NORMAN SUSDAT | |
| FDA SRS | X2512M5L7Q |
| PubChem | 11969 |
| ChemSpider | 11475.0 |
CONTENTS
