| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XW9Q7KC9DH |
| EPA CompTox | DTXSID9060738 |
Structure
| InChI Key | JLPJTCGUKOBWRJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H33B1O3 |
| Molecular Weight | 272.25 |
| AlogP | 4.59 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 15.0 |
| Polar Surface Area | 27.69 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 621-78-3 |
| NORMAN SUSDAT | |
| FDA SRS | XW9Q7KC9DH |
| PubChem | 12134 |
| ChemSpider | 11636.0 |
CONTENTS
