| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30239922 |
| InChI Key | MLCADUOZDASYJQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H15Br1O3 |
| Molecular Weight | 238.02 |
| AlogP | 1.48 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 93942-35-9 |
| NORMAN SUSDAT | |
| PubChem | 3023018 |
| ChemSpider | 2289343.0 |