| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5U829XNV85 |
| EPA CompTox | DTXSID10188000 |
Structure
| InChI Key | VPRUMANMDWQMNF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11BO2 |
| Molecular Weight | 150.09 |
| AlogP | 0.7 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 34420-17-2 |
| NORMAN SUSDAT | |
| FDA SRS | 5U829XNV85 |
| PubChem | 65389 |
CONTENTS
