| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XE349DXL4Q |
| EPA CompTox | DTXSID20191343 |
| InChI Key | IBCQUQXCTOPJOD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7Cl1O3 |
| Molecular Weight | 186.01 |
| AlogP | 2.05 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 37908-96-6 |
| NORMAN SUSDAT | |
| FDA SRS | XE349DXL4Q |
| PubChem | 169982 |
| ChemSpider | 148648.0 |