| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | YJM4GM7K66 |
| EPA CompTox | DTXSID00205836 |
Structure
| InChI Key | BIWQNIMLAISTBV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9B1O2 |
| Molecular Weight | 136.07 |
| AlogP | -0.33 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5720-05-8 |
| NORMAN SUSDAT | |
| FDA SRS | YJM4GM7K66 |
| PubChem | 79799 |
| ChemSpider | 16472.0 |
CONTENTS
