| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A9T6SLA83G |
| EPA CompTox | DTXSID1061156 |
| InChI Key | LQQKDSXCDXHLLF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C3H4Br2O1 |
| Molecular Weight | 213.86 |
| AlogP | 1.35 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 6.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 816-39-7 |
| NORMAN SUSDAT | |
| FDA SRS | A9T6SLA83G |
| PubChem | 69952 |
| ChemSpider | 63145.0 |