| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7I5GI51211 |
| EPA CompTox | DTXSID00199064 |
| InChI Key | LWXFCZXRFBUOOR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5Cl1O3 |
| Molecular Weight | 171.99 |
| AlogP | 1.74 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 57.53 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5106-98-9 |
| NORMAN SUSDAT | |
| FDA SRS | 7I5GI51211 |
| PubChem | 78782 |
| ChemSpider | 71120.0 |