| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AX1RMD8FYJ |
| EPA CompTox | DTXSID90188624 |
| InChI Key | UTVNSHXHFRIXMM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11Br1O2 |
| Molecular Weight | 205.99 |
| AlogP | 1.87 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 35120-18-4 |
| NORMAN SUSDAT | |
| FDA SRS | AX1RMD8FYJ |
| PubChem | 97595 |
| ChemSpider | 88088.0 |