| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 44U8ADR772 |
| EPA CompTox | DTXSID10867227 |
Structure
| InChI Key | JMZFEHDNIAQMNB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8BNO2 |
| Molecular Weight | 137.06 |
| AlogP | -1.05 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 66.48 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 30418-59-8 |
| NORMAN SUSDAT | |
| FDA SRS | 44U8ADR772 |
| PubChem | 92269 |
CONTENTS
