| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2KGW54P4PP |
| EPA CompTox | DTXSID40201534 |
| InChI Key | JNEZJAAADKQBBD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H12B1Cl3O3 |
| Molecular Weight | 391.99 |
| AlogP | 6.17 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 27.69 |
| Heavy Atoms | 25.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5337-60-0 |
| NORMAN SUSDAT | |
| FDA SRS | 2KGW54P4PP |
| PubChem | 21427 |
| ChemSpider | 20138.0 |