| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZOU7AC2RBE |
| EPA CompTox | DTXSID7068928 |
Structure
| InChI Key | XMDCYZRDFRTBQH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H8Br1N1 |
| Molecular Weight | 220.98 |
| AlogP | 3.18 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 54245-33-9 |
| NORMAN SUSDAT | |
| FDA SRS | ZOU7AC2RBE |
| PubChem | 97027 |
| ChemSpider | 87593.0 |
CONTENTS
