| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HC3TKC3RXC |
| EPA CompTox | DTXSID9066461 |
Structure
| InChI Key | MMHHBAUIJVTLFZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11Br1O3 |
| Molecular Weight | 197.99 |
| AlogP | -0.66 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 60.69 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19184-65-7 |
| NORMAN SUSDAT | |
| FDA SRS | HC3TKC3RXC |
| PubChem | 87954 |
| ChemSpider | 79351.0 |
CONTENTS
