| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J57CTF25XJ |
| EPA CompTox | DTXSID5046803 |
Structure
| InChI Key | CIUUIPMOFZIWIZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H8BrN3O |
| Molecular Weight | 264.99 |
| AlogP | 2.02 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 72.76 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56741-95-8 |
| NORMAN SUSDAT | |
| FDA SRS | J57CTF25XJ |
CONTENTS
