| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40224925 |
Structure
| InChI Key | GPADKIKEHFMOHG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H2Br3N1O2 |
| Molecular Weight | 344.76 |
| AlogP | 3.0 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 53.09 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 74039-30-8 |
| NORMAN SUSDAT | |
| PubChem | 3057454 |
| ChemSpider | 2318687.0 |
CONTENTS
