| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3BC5KW7BC5 |
| EPA CompTox | DTXSID00349087 |
Structure
| InChI Key | OJKBCQOJVMAHDX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14B1N1 |
| Molecular Weight | 147.12 |
| AlogP | 1.82 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 89878-14-8 |
| NORMAN SUSDAT | |
| FDA SRS | 3BC5KW7BC5 |
| PubChem | 642851 |
| ChemSpider | 558035.0 |
CONTENTS
