| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XQU5NZU8HR |
| EPA CompTox | DTXSID40212685 |
Structure
| InChI Key | MRMOPHYFXXZTFN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6Br1N1O2 |
| Molecular Weight | 214.96 |
| AlogP | 2.04 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 64.31 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6329-74-4 |
| NORMAN SUSDAT | |
| FDA SRS | XQU5NZU8HR |
| PubChem | 72876 |
| ChemSpider | 65708.0 |
CONTENTS
