| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50376303 |
Structure
| InChI Key | YUTPAZKVEOJQCY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8B1N1O3 |
| Molecular Weight | 153.06 |
| AlogP | -1.23 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 62.58 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 355004-67-0 |
| NORMAN SUSDAT | |
| PubChem | 2762556 |
| ChemSpider | 2043273.0 |
CONTENTS
